Hmdb loader

Showing metabocard for Tetrahexosylceramide (d18:1/26:0) (HMDB0004966)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (59) Show 59 proteinsXML
enzymes (59) Show 59 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:24 UTC
HMDB IDHMDB0004966
Secondary Accession Numbers
  • HMDB04966
Metabolite Identification
Common NameTetrahexosylceramide (d18:1/26:0)
DescriptionTetrahexosylceramide (d18:1/26:0) is a glycosphingolipid (ceramide and oligosaccharide)or oligoglycosylceramide with one or more sialic acids (i.e. n-acetylneuraminic acid) linked on the sugar chain. Tetrahexosylceramide contains a tetrasaccharide moiety bound in glycosidic linkage to the hydroxyl group of ceramide as the polar head group. It is a component the cell plasma membrane which modulates cell signal transduction events. Gangliosides have been found to be highly important in immunology. Ganglioside Gb4 carries a net-negative charge at pH 7.0 and is acidic. Gangliosides can amount to 6% of the weight of lipids from brain, but they are found at low levels in all animal tissues.Globosides are glycosphingolipids. There are four types of glycosphingolipids, the cerebrosides, sulfatides, globosides and gangliosides. Globosides are cerebrosides that contain additional carbohydrates, predominantly galactose, glucose or GalNAc. Lactosyl ceramide is a globoside found in erythrocyte plasma membranes. Globotriaosylceramide (also called ceramide trihexoside) contains glucose and two moles of galactose and accumulates, primarily in the kidneys, of patients suffering from Fabry disease.
Structure
Data?1582752335
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

Tetrahexosylceramide(j).mol
  Mrv0541 02231220172D          

 95 98  0  0  1  0            999 V2000
  -12.4572   -2.9131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.4572   -3.7381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.1717   -2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1716   -4.1506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.8862   -2.9131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.8862   -3.7381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.1953   -4.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6006   -4.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6006   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3151   -2.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7427   -4.1506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1669    3.0477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1669    2.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8815    3.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8815    1.8102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5959    3.0477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5959    2.2227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1380    1.2219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1380    0.3969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8526    1.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8525   -0.0156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.5670    1.2219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5670    0.3969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.8762   -0.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815   -0.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815    1.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9960    1.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4236   -0.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4236    1.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8815    1.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    3.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0842    3.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7998    3.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6390    1.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890    2.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2697    3.3341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5602    2.9132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8409    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314    2.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121    3.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0168    3.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    2.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    3.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    2.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699    2.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2601    4.1591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    4.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311    5.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119    4.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    4.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    4.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    4.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4554    4.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9960   -0.4281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.9960   -1.2531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.7105   -0.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7104   -1.6656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.4250   -0.4281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.4250   -1.2531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.7341   -2.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1394   -1.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1394   -0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8539   -0.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815   -1.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8744    3.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    2.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    3.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0129    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7321    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1747    4.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035    4.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3131    4.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1609    3.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7427   -4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0282   -5.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4572   -5.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0324    4.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7419    4.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4612    4.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1708    4.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901    4.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5997    4.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3189    4.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285    3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7478    4.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4574    3.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1766    4.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8862    3.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6055    4.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3151    3.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  7  1  1  0  0  0
  6  8  1  1  0  0  0
  5  9  1  1  0  0  0
 10  9  1  0  0  0  0
  2 11  1  6  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 23 22  1  0  0  0  0
 21 24  1  1  0  0  0
 23 25  1  1  0  0  0
 22 26  1  1  0  0  0
 27 26  1  0  0  0  0
 19 28  1  6  0  0  0
 18 29  1  1  0  0  0
 17 29  1  6  0  0  0
 15 30  1  1  0  0  0
 12 31  1  1  0  0  0
 16 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 13  1  6  0  0  0
 35 31  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 37 46  1  1  0  0  0
 36 47  1  6  0  0  0
 49 48  2  0  0  0  0
 47 48  1  0  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 58 57  1  0  0  0  0
 59 57  1  0  0  0  0
 60 58  1  0  0  0  0
 61 59  1  0  0  0  0
 62 60  1  0  0  0  0
 62 61  1  0  0  0  0
 60 63  1  1  0  0  0
 62 64  1  1  0  0  0
 61 65  1  1  0  0  0
 66 65  1  0  0  0  0
 58 67  1  6  0  0  0
 57 25  1  6  0  0  0
 68 45  1  0  0  0  0
 69 68  1  0  0  0  0
 70 69  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 73 72  1  0  0  0  0
 74 56  1  0  0  0  0
 75 74  1  0  0  0  0
 76 75  1  0  0  0  0
 77 76  1  0  0  0  0
 78 73  1  0  0  0  0
  1 63  1  1  0  0  0
 80 79  2  0  0  0  0
 81 79  1  0  0  0  0
 11 79  1  0  0  0  0
 82 77  1  0  0  0  0
 83 82  1  0  0  0  0
 84 83  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 87  1  0  0  0  0
 89 88  1  0  0  0  0
 90 89  1  0  0  0  0
 91 90  1  0  0  0  0
 92 91  1  0  0  0  0
 93 92  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
M  END
Download

3D MOL for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

HMDB0004966
     RDKit          3D
Tetrahexosylceramide (d18:1/26:0)
225228  0  0  0  0  0  0  0  0999 V2000
    2.7648   -2.8055    1.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2649   -2.8629    1.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353   -1.6724    0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.5990   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299   -1.4618    1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8403   -0.1883    1.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8703   -0.1101    3.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -1.1871    4.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5157   -1.1886    4.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3554    0.0674    5.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1026    0.0416    6.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0386   -1.1007    7.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -0.9909    8.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264   -0.9454    7.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214   -1.7988    7.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450   -1.6422    7.0387 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1437   -0.2752    7.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823   -1.9727    5.5457 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9339   -1.6429    4.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -1.8724    3.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0979   -1.5043    2.9111 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6887   -2.6392    2.4138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324   -2.3046    1.6701 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6626   -3.5393    1.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9797   -4.5102    0.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397   -1.6058    0.4001 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5500   -1.2084   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5331   -1.7270   -1.6553 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0877   -0.7115   -2.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5722   -0.9967   -3.7681 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8483   -0.3786   -4.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177   -0.8186   -4.8722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0542   -0.5754   -3.7122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1814    0.5797   -2.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6046    1.6923   -3.6855 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.8723    2.1201   -3.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3051    3.2996   -3.8977 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.0703    3.0279   -5.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1952    2.4008   -6.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2269    4.3088   -4.2522 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7597    3.9863   -5.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1315    4.0507   -3.1843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2746    5.1141   -3.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4580    5.8827   -2.0849 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8230    7.1723   -2.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1753    7.9634   -1.4049 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4409    9.3036   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8740   10.0563   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0701    7.2625   -0.0732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1565    8.2539    0.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8109    6.5005    0.1460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8872    7.1376    0.9326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2424    6.0449   -1.1944 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4436    4.8704   -1.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561    4.8868   -1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468    3.6709   -1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5216    5.9602   -1.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5332    2.7544   -3.6197 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4971    2.3252   -2.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7130   -1.7032   -2.9791 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8999   -1.2749   -2.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7977   -2.3634   -1.9807 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5265   -3.6604   -2.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656   -0.2898    0.8307 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2079    0.3799   -0.2561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -0.5386    1.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5898   -1.0938    1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097   -3.3407    5.3032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095   -3.8704    5.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -3.1297    5.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -5.3333    4.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188   -5.6955    4.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9773   -7.0864    4.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8355   -7.5415    3.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5577   -7.4059    2.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571   -8.0715    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -7.9448    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -6.4889   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0314   -6.4279   -1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -4.9743   -1.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270   -4.2243   -2.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -2.7883   -2.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3742   -1.9029   -2.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7704   -0.4948   -2.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    0.4765   -3.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157    1.8632   -3.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0581    2.8682   -4.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139    4.2414   -3.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2770    5.3251   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822    5.3865   -3.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151    6.4552   -4.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812    7.8490   -4.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712    8.1706   -2.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    8.0715   -1.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    8.4042   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -3.0269    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -3.6061    0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.8410    1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7805   -2.8676    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007   -3.8038    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -0.7472    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653   -1.7694   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296   -2.4961   -0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951   -0.7311   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8397   -2.3357    1.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0581   -1.5700    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8163   -0.1477    2.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0127    0.6687    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8620   -0.2170    2.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8932    0.9133    3.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -1.0828    4.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9383   -2.1705    3.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4819   -2.0585    5.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6830   -1.2974    4.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2114    0.1662    6.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2819    0.9769    5.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571    0.9825    7.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169    0.0235    5.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9973   -2.0984    6.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9195   -1.0485    8.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -1.7714    9.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305   -0.0270    8.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3263   -0.1251    6.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -2.6263    8.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5679   -2.2122    7.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592   -0.0481    7.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198   -1.2773    5.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753   -2.3684    5.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468   -0.6059    5.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470   -1.0995    3.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -1.6033    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8906   -3.9688    2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6230   -3.2371    1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3406   -5.3973    1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7417   -2.2438   -0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6638   -2.4400   -1.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5800   -2.0913   -3.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8272    0.7155   -4.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2474   -0.8202   -5.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5415   -1.8102   -4.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4294   -0.4878   -4.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6438    1.3303   -4.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9964    3.8484   -3.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9024    2.2952   -4.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4958    3.9580   -5.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3024    2.6431   -6.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6387    5.3089   -4.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667    4.7400   -5.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7175    4.0163   -2.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3152    5.4648   -1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2565    8.2165   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6757    9.9139   -2.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3459    9.1797   -1.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0775   10.3788    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9913    6.6437    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4163    8.2142    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1126    5.5484    0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2781    6.5016    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6494    6.9075   -1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9129    3.9840   -0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    3.9028   -1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283    2.9824   -2.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925    3.0924   -0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1291    2.9122   -4.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6781    2.8291   -3.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0480   -2.4490   -3.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3308   -0.5263   -2.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4600   -2.5737   -1.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9288   -4.1466   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5940    0.3161    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    1.1070   -0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4177    0.4253    2.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8119   -2.0489    0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -4.0054    5.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -5.6229    3.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -5.8123    5.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1987   -4.9919    4.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0078   -5.4042    5.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960   -7.7693    5.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0908   -7.1900    4.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127   -6.9760    2.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   -8.6140    3.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6728   -7.8063    2.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -6.3047    2.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -7.5851    0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9896   -9.1335    1.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785   -8.4926    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349   -8.4029   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9857   -5.9911    0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761   -5.9894   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -6.9393   -2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8440   -6.8459   -0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810   -4.9009   -2.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -4.4631   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -4.7047   -3.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -4.1960   -1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913   -2.4204   -1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181   -2.8149   -2.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001   -1.9428   -2.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240   -2.2642   -3.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.2444   -1.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -0.4837   -3.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.4531   -2.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151    0.2406   -4.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554    2.1483   -2.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315    1.8132   -3.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157    2.7958   -3.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    2.6122   -5.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    4.3887   -2.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779    4.2303   -4.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353    5.1153   -5.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    6.2864   -4.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    4.4190   -4.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4397    5.4668   -2.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    6.3832   -3.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628    6.3251   -5.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    8.5324   -4.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    8.1211   -4.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    9.2411   -2.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    7.5943   -2.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867    8.8859   -2.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3840    7.0968   -1.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    7.4254    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    8.9133    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967    8.9572   -0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 46 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 42 58  1  0
 58 59  1  0
 33 60  1  0
 60 61  1  0
 60 62  1  0
 62 63  1  0
 26 64  1  0
 64 65  1  0
 64 66  1  0
 66 67  1  0
 18 68  1  0
 68 69  1  0
 69 70  2  0
 69 71  1  0
 71 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  1  0
 75 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 86 87  1  0
 87 88  1  0
 88 89  1  0
 89 90  1  0
 90 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  1  0
 94 95  1  0
 66 21  1  0
 62 28  1  0
 58 35  1  0
 53 44  1  0
  1 96  1  0
  1 97  1  0
  1 98  1  0
  2 99  1  0
  2100  1  0
  3101  1  0
  3102  1  0
  4103  1  0
  4104  1  0
  5105  1  0
  5106  1  0
  6107  1  0
  6108  1  0
  7109  1  0
  7110  1  0
  8111  1  0
  8112  1  0
  9113  1  0
  9114  1  0
 10115  1  0
 10116  1  0
 11117  1  0
 11118  1  0
 12119  1  0
 12120  1  0
 13121  1  0
 13122  1  0
 14123  1  0
 15124  1  0
 16125  1  1
 17126  1  0
 18127  1  6
 19128  1  0
 19129  1  0
 21130  1  1
 23131  1  1
 24132  1  0
 24133  1  0
 25134  1  0
 26135  1  6
 28136  1  1
 30137  1  6
 31138  1  0
 31139  1  0
 32140  1  0
 33141  1  6
 35142  1  6
 37143  1  1
 38144  1  0
 38145  1  0
 39146  1  0
 40147  1  6
 41148  1  0
 42149  1  1
 44150  1  1
 46151  1  6
 47152  1  0
 47153  1  0
 48154  1  0
 49155  1  1
 50156  1  0
 51157  1  1
 52158  1  0
 53159  1  6
 54160  1  0
 56161  1  0
 56162  1  0
 56163  1  0
 58164  1  6
 59165  1  0
 60166  1  6
 61167  1  0
 62168  1  1
 63169  1  0
 64170  1  1
 65171  1  0
 66172  1  0
 67173  1  0
 68174  1  0
 71175  1  0
 71176  1  0
 72177  1  0
 72178  1  0
 73179  1  0
 73180  1  0
 74181  1  0
 74182  1  0
 75183  1  0
 75184  1  0
 76185  1  0
 76186  1  0
 77187  1  0
 77188  1  0
 78189  1  0
 78190  1  0
 79191  1  0
 79192  1  0
 80193  1  0
 80194  1  0
 81195  1  0
 81196  1  0
 82197  1  0
 82198  1  0
 83199  1  0
 83200  1  0
 84201  1  0
 84202  1  0
 85203  1  0
 85204  1  0
 86205  1  0
 86206  1  0
 87207  1  0
 87208  1  0
 88209  1  0
 88210  1  0
 89211  1  0
 89212  1  0
 90213  1  0
 90214  1  0
 91215  1  0
 91216  1  0
 92217  1  0
 92218  1  0
 93219  1  0
 93220  1  0
 94221  1  0
 94222  1  0
 95223  1  0
 95224  1  0
 95225  1  0
M  END
Download

3D SDF for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

Tetrahexosylceramide(j).mol
  Mrv0541 02231220172D          

 95 98  0  0  1  0            999 V2000
  -12.4572   -2.9131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.4572   -3.7381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.1717   -2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1716   -4.1506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.8862   -2.9131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.8862   -3.7381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.1953   -4.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6006   -4.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6006   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3151   -2.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7427   -4.1506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1669    3.0477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1669    2.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8815    3.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8815    1.8102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5959    3.0477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5959    2.2227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1380    1.2219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1380    0.3969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8526    1.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8525   -0.0156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.5670    1.2219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5670    0.3969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.8762   -0.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815   -0.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815    1.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9960    1.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4236   -0.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4236    1.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8815    1.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    3.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0842    3.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7998    3.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6390    1.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890    2.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2697    3.3341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5602    2.9132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8409    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314    2.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121    3.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0168    3.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    2.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    3.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    2.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699    2.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2601    4.1591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    4.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311    5.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119    4.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    4.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    4.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    4.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4554    4.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9960   -0.4281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.9960   -1.2531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.7105   -0.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7104   -1.6656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.4250   -0.4281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.4250   -1.2531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.7341   -2.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1394   -1.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1394   -0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8539   -0.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815   -1.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8744    3.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    2.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    3.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0129    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7321    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1747    4.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035    4.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3131    4.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1609    3.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7427   -4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0282   -5.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4572   -5.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0324    4.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7419    4.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4612    4.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1708    4.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901    4.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5997    4.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3189    4.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285    3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7478    4.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4574    3.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1766    4.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8862    3.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6055    4.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3151    3.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  7  1  1  0  0  0
  6  8  1  1  0  0  0
  5  9  1  1  0  0  0
 10  9  1  0  0  0  0
  2 11  1  6  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 23 22  1  0  0  0  0
 21 24  1  1  0  0  0
 23 25  1  1  0  0  0
 22 26  1  1  0  0  0
 27 26  1  0  0  0  0
 19 28  1  6  0  0  0
 18 29  1  1  0  0  0
 17 29  1  6  0  0  0
 15 30  1  1  0  0  0
 12 31  1  1  0  0  0
 16 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 13  1  6  0  0  0
 35 31  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 37 46  1  1  0  0  0
 36 47  1  6  0  0  0
 49 48  2  0  0  0  0
 47 48  1  0  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 58 57  1  0  0  0  0
 59 57  1  0  0  0  0
 60 58  1  0  0  0  0
 61 59  1  0  0  0  0
 62 60  1  0  0  0  0
 62 61  1  0  0  0  0
 60 63  1  1  0  0  0
 62 64  1  1  0  0  0
 61 65  1  1  0  0  0
 66 65  1  0  0  0  0
 58 67  1  6  0  0  0
 57 25  1  6  0  0  0
 68 45  1  0  0  0  0
 69 68  1  0  0  0  0
 70 69  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 73 72  1  0  0  0  0
 74 56  1  0  0  0  0
 75 74  1  0  0  0  0
 76 75  1  0  0  0  0
 77 76  1  0  0  0  0
 78 73  1  0  0  0  0
  1 63  1  1  0  0  0
 80 79  2  0  0  0  0
 81 79  1  0  0  0  0
 11 79  1  0  0  0  0
 82 77  1  0  0  0  0
 83 82  1  0  0  0  0
 84 83  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 87  1  0  0  0  0
 89 88  1  0  0  0  0
 90 89  1  0  0  0  0
 91 90  1  0  0  0  0
 92 91  1  0  0  0  0
 93 92  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004966

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61?,62+,63+,64+,65-,66-,67-,68+,69-,70+/m0/s1

> <INCHI_KEY>
FLMFNAJOWBHBBY-NLJQPXDCSA-N

> <FORMULA>
C70H130N2O23

> <MOLECULAR_WEIGHT>
1367.7808

> <EXACT_MASS>
1366.906438476

> <JCHEM_ACCEPTOR_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
159.87326702531516

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide

> <ALOGPS_LOGP>
5.22

> <JCHEM_LOGP>
7.939664017333333

> <ALOGPS_LOGS>
-4.91

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.012306191841752

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.59444544730604

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6340433457355097

> <JCHEM_POLAR_SURFACE_AREA>
395.03

> <JCHEM_REFRACTIVITY>
352.5402

> <JCHEM_ROTATABLE_BOND_COUNT>
53

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.70e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

HMDB0004966
     RDKit          3D
Tetrahexosylceramide (d18:1/26:0)
225228  0  0  0  0  0  0  0  0999 V2000
    2.7648   -2.8055    1.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2649   -2.8629    1.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353   -1.6724    0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.5990   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299   -1.4618    1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8403   -0.1883    1.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8703   -0.1101    3.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -1.1871    4.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5157   -1.1886    4.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3554    0.0674    5.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1026    0.0416    6.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0386   -1.1007    7.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -0.9909    8.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264   -0.9454    7.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214   -1.7988    7.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450   -1.6422    7.0387 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1437   -0.2752    7.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823   -1.9727    5.5457 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9339   -1.6429    4.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -1.8724    3.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0979   -1.5043    2.9111 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6887   -2.6392    2.4138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324   -2.3046    1.6701 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6626   -3.5393    1.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9797   -4.5102    0.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397   -1.6058    0.4001 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5500   -1.2084   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5331   -1.7270   -1.6553 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0877   -0.7115   -2.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5722   -0.9967   -3.7681 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8483   -0.3786   -4.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177   -0.8186   -4.8722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0542   -0.5754   -3.7122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1814    0.5797   -2.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6046    1.6923   -3.6855 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.8723    2.1201   -3.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3051    3.2996   -3.8977 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.0703    3.0279   -5.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1952    2.4008   -6.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2269    4.3088   -4.2522 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7597    3.9863   -5.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1315    4.0507   -3.1843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2746    5.1141   -3.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4580    5.8827   -2.0849 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8230    7.1723   -2.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1753    7.9634   -1.4049 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4409    9.3036   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8740   10.0563   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0701    7.2625   -0.0732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1565    8.2539    0.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8109    6.5005    0.1460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8872    7.1376    0.9326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2424    6.0449   -1.1944 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4436    4.8704   -1.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561    4.8868   -1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468    3.6709   -1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5216    5.9602   -1.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5332    2.7544   -3.6197 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4971    2.3252   -2.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7130   -1.7032   -2.9791 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8999   -1.2749   -2.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7977   -2.3634   -1.9807 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5265   -3.6604   -2.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656   -0.2898    0.8307 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2079    0.3799   -0.2561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -0.5386    1.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5898   -1.0938    1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097   -3.3407    5.3032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095   -3.8704    5.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -3.1297    5.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -5.3333    4.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188   -5.6955    4.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9773   -7.0864    4.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8355   -7.5415    3.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5577   -7.4059    2.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571   -8.0715    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -7.9448    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -6.4889   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0314   -6.4279   -1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -4.9743   -1.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270   -4.2243   -2.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -2.7883   -2.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3742   -1.9029   -2.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7704   -0.4948   -2.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    0.4765   -3.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157    1.8632   -3.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0581    2.8682   -4.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139    4.2414   -3.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2770    5.3251   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822    5.3865   -3.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151    6.4552   -4.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812    7.8490   -4.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712    8.1706   -2.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    8.0715   -1.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    8.4042   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -3.0269    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -3.6061    0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.8410    1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7805   -2.8676    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007   -3.8038    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -0.7472    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653   -1.7694   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296   -2.4961   -0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951   -0.7311   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8397   -2.3357    1.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0581   -1.5700    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8163   -0.1477    2.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0127    0.6687    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8620   -0.2170    2.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8932    0.9133    3.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -1.0828    4.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9383   -2.1705    3.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4819   -2.0585    5.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6830   -1.2974    4.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2114    0.1662    6.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2819    0.9769    5.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571    0.9825    7.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169    0.0235    5.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9973   -2.0984    6.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9195   -1.0485    8.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -1.7714    9.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305   -0.0270    8.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3263   -0.1251    6.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -2.6263    8.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5679   -2.2122    7.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592   -0.0481    7.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198   -1.2773    5.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753   -2.3684    5.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468   -0.6059    5.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470   -1.0995    3.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -1.6033    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8906   -3.9688    2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6230   -3.2371    1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3406   -5.3973    1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7417   -2.2438   -0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6638   -2.4400   -1.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5800   -2.0913   -3.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8272    0.7155   -4.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2474   -0.8202   -5.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5415   -1.8102   -4.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4294   -0.4878   -4.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6438    1.3303   -4.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9964    3.8484   -3.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9024    2.2952   -4.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4958    3.9580   -5.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3024    2.6431   -6.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6387    5.3089   -4.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667    4.7400   -5.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7175    4.0163   -2.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3152    5.4648   -1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2565    8.2165   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6757    9.9139   -2.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3459    9.1797   -1.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0775   10.3788    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9913    6.6437    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4163    8.2142    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1126    5.5484    0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2781    6.5016    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6494    6.9075   -1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9129    3.9840   -0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    3.9028   -1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283    2.9824   -2.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925    3.0924   -0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1291    2.9122   -4.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6781    2.8291   -3.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0480   -2.4490   -3.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3308   -0.5263   -2.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4600   -2.5737   -1.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9288   -4.1466   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5940    0.3161    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    1.1070   -0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4177    0.4253    2.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8119   -2.0489    0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -4.0054    5.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -5.6229    3.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -5.8123    5.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1987   -4.9919    4.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0078   -5.4042    5.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960   -7.7693    5.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0908   -7.1900    4.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127   -6.9760    2.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   -8.6140    3.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6728   -7.8063    2.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -6.3047    2.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -7.5851    0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9896   -9.1335    1.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785   -8.4926    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349   -8.4029   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9857   -5.9911    0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761   -5.9894   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -6.9393   -2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8440   -6.8459   -0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810   -4.9009   -2.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -4.4631   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -4.7047   -3.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -4.1960   -1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913   -2.4204   -1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181   -2.8149   -2.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001   -1.9428   -2.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240   -2.2642   -3.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.2444   -1.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -0.4837   -3.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.4531   -2.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151    0.2406   -4.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554    2.1483   -2.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315    1.8132   -3.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157    2.7958   -3.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    2.6122   -5.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    4.3887   -2.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779    4.2303   -4.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353    5.1153   -5.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    6.2864   -4.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    4.4190   -4.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4397    5.4668   -2.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    6.3832   -3.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628    6.3251   -5.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    8.5324   -4.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    8.1211   -4.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    9.2411   -2.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    7.5943   -2.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867    8.8859   -2.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3840    7.0968   -1.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    7.4254    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    8.9133    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967    8.9572   -0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 46 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 42 58  1  0
 58 59  1  0
 33 60  1  0
 60 61  1  0
 60 62  1  0
 62 63  1  0
 26 64  1  0
 64 65  1  0
 64 66  1  0
 66 67  1  0
 18 68  1  0
 68 69  1  0
 69 70  2  0
 69 71  1  0
 71 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  1  0
 75 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 86 87  1  0
 87 88  1  0
 88 89  1  0
 89 90  1  0
 90 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  1  0
 94 95  1  0
 66 21  1  0
 62 28  1  0
 58 35  1  0
 53 44  1  0
  1 96  1  0
  1 97  1  0
  1 98  1  0
  2 99  1  0
  2100  1  0
  3101  1  0
  3102  1  0
  4103  1  0
  4104  1  0
  5105  1  0
  5106  1  0
  6107  1  0
  6108  1  0
  7109  1  0
  7110  1  0
  8111  1  0
  8112  1  0
  9113  1  0
  9114  1  0
 10115  1  0
 10116  1  0
 11117  1  0
 11118  1  0
 12119  1  0
 12120  1  0
 13121  1  0
 13122  1  0
 14123  1  0
 15124  1  0
 16125  1  1
 17126  1  0
 18127  1  6
 19128  1  0
 19129  1  0
 21130  1  1
 23131  1  1
 24132  1  0
 24133  1  0
 25134  1  0
 26135  1  6
 28136  1  1
 30137  1  6
 31138  1  0
 31139  1  0
 32140  1  0
 33141  1  6
 35142  1  6
 37143  1  1
 38144  1  0
 38145  1  0
 39146  1  0
 40147  1  6
 41148  1  0
 42149  1  1
 44150  1  1
 46151  1  6
 47152  1  0
 47153  1  0
 48154  1  0
 49155  1  1
 50156  1  0
 51157  1  1
 52158  1  0
 53159  1  6
 54160  1  0
 56161  1  0
 56162  1  0
 56163  1  0
 58164  1  6
 59165  1  0
 60166  1  6
 61167  1  0
 62168  1  1
 63169  1  0
 64170  1  1
 65171  1  0
 66172  1  0
 67173  1  0
 68174  1  0
 71175  1  0
 71176  1  0
 72177  1  0
 72178  1  0
 73179  1  0
 73180  1  0
 74181  1  0
 74182  1  0
 75183  1  0
 75184  1  0
 76185  1  0
 76186  1  0
 77187  1  0
 77188  1  0
 78189  1  0
 78190  1  0
 79191  1  0
 79192  1  0
 80193  1  0
 80194  1  0
 81195  1  0
 81196  1  0
 82197  1  0
 82198  1  0
 83199  1  0
 83200  1  0
 84201  1  0
 84202  1  0
 85203  1  0
 85204  1  0
 86205  1  0
 86206  1  0
 87207  1  0
 87208  1  0
 88209  1  0
 88210  1  0
 89211  1  0
 89212  1  0
 90213  1  0
 90214  1  0
 91215  1  0
 91216  1  0
 92217  1  0
 92218  1  0
 93219  1  0
 93220  1  0
 94221  1  0
 94222  1  0
 95223  1  0
 95224  1  0
 95225  1  0
M  END
Download

PDB for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Tetrahexosylceramide(j).mol                       
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0     -23.253  -5.438   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -23.253  -6.978   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0     -24.587  -4.668   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0     -24.587  -7.748   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -25.921  -5.438   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -25.921  -6.978   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -24.631  -9.077   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0     -27.254  -7.748   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0     -27.254  -4.668   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -28.588  -5.438   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0     -21.920  -7.748   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -9.645   5.689   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -9.645   4.149   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0     -10.979   6.459   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0     -10.979   3.379   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -12.312   5.689   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -12.312   4.149   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -15.191   2.281   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -15.191   0.741   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0     -16.525   3.051   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0     -16.525  -0.029   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -17.858   2.281   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -17.858   0.741   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -16.569  -1.358   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0     -19.192  -0.029   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0     -19.192   3.051   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0     -20.526   2.281   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -13.857  -0.029   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -13.857   3.051   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0     -10.979   2.210   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -8.771   6.255   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0     -13.224   6.496   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0     -14.560   5.865   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -8.659   3.657   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -7.446   5.469   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.103   6.224   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.779   5.438   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.436   6.192   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.112   5.407   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.769   6.161   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.555   5.375   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.898   6.130   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.222   5.344   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.565   6.098   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       5.890   5.313   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -4.797   3.898   0.000  0.00  0.00           O+0
HETATM   47  N   UNK     0      -6.086   7.764   0.000  0.00  0.00           N+0
HETATM   48  C   UNK     0      -4.743   8.518   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -4.725  10.058   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      -3.418   7.732   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -2.076   8.486   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -0.751   7.701   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.592   8.455   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       1.916   7.669   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       3.259   8.424   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       4.583   7.638   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0     -20.526  -0.799   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0     -20.526  -2.339   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0     -21.860  -0.029   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0     -21.859  -3.109   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0     -23.193  -0.799   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0     -23.193  -2.339   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0     -21.904  -4.438   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0     -24.527  -3.109   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0     -24.527  -0.029   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0     -25.861  -0.799   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0     -19.192  -3.109   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0       7.232   6.067   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0       8.557   5.281   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       9.899   6.036   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      11.224   5.250   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      12.567   6.004   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      13.891   5.219   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0       5.926   8.392   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0       7.251   7.607   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0       8.593   8.361   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0       9.918   7.575   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      15.234   5.973   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0     -21.920  -9.288   0.000  0.00  0.00           C+0
HETATM   80  O   UNK     0     -20.586 -10.058   0.000  0.00  0.00           O+0
HETATM   81  C   UNK     0     -23.253 -10.058   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      11.260   8.330   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      12.585   7.544   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      13.928   8.299   0.000  0.00  0.00           C+0
HETATM   85  C   UNK     0      15.252   7.513   0.000  0.00  0.00           C+0
HETATM   86  C   UNK     0      16.595   8.267   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      17.919   7.482   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      19.262   8.236   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      20.587   7.451   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      21.929   8.205   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      23.254   7.420   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      24.596   8.174   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0      25.921   7.388   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0      27.264   8.143   0.000  0.00  0.00           C+0
HETATM   95  C   UNK     0      28.588   7.357   0.000  0.00  0.00           C+0
CONECT    1    2    3   63                                                  
CONECT    2    1    4   11                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6    7                                                  
CONECT    5    3    6    9                                                  
CONECT    6    4    5    8                                                  
CONECT    7    4                                                            
CONECT    8    6                                                            
CONECT    9    5   10                                                       
CONECT   10    9                                                            
CONECT   11    2   79                                                       
CONECT   12   13   14   31                                                  
CONECT   13   12   15   34                                                  
CONECT   14   12   16                                                       
CONECT   15   13   17   30                                                  
CONECT   16   14   17   32                                                  
CONECT   17   15   16   29                                                  
CONECT   18   19   20   29                                                  
CONECT   19   18   21   28                                                  
CONECT   20   18   22                                                       
CONECT   21   19   23   24                                                  
CONECT   22   20   23   26                                                  
CONECT   23   21   22   25                                                  
CONECT   24   21                                                            
CONECT   25   23   57                                                       
CONECT   26   22   27                                                       
CONECT   27   26                                                            
CONECT   28   19                                                            
CONECT   29   18   17                                                       
CONECT   30   15                                                            
CONECT   31   12   35                                                       
CONECT   32   16   33                                                       
CONECT   33   32                                                            
CONECT   34   13                                                            
CONECT   35   31   36                                                       
CONECT   36   35   37   47                                                  
CONECT   37   36   38   46                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   68                                                       
CONECT   46   37                                                            
CONECT   47   36   48                                                       
CONECT   48   49   47   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   74                                                       
CONECT   57   58   59   25                                                  
CONECT   58   57   60   67                                                  
CONECT   59   57   61                                                       
CONECT   60   58   62   63                                                  
CONECT   61   59   62   65                                                  
CONECT   62   60   61   64                                                  
CONECT   63   60    1                                                       
CONECT   64   62                                                            
CONECT   65   61   66                                                       
CONECT   66   65                                                            
CONECT   67   58                                                            
CONECT   68   45   69                                                       
CONECT   69   68   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73                                                       
CONECT   73   72   78                                                       
CONECT   74   56   75                                                       
CONECT   75   74   76                                                       
CONECT   76   75   77                                                       
CONECT   77   76   82                                                       
CONECT   78   73                                                            
CONECT   79   80   81   11                                                  
CONECT   80   79                                                            
CONECT   81   79                                                            
CONECT   82   77   83                                                       
CONECT   83   82   84                                                       
CONECT   84   83   85                                                       
CONECT   85   84   86                                                       
CONECT   86   85   87                                                       
CONECT   87   86   88                                                       
CONECT   88   87   89                                                       
CONECT   89   88   90                                                       
CONECT   90   89   91                                                       
CONECT   91   90   92                                                       
CONECT   92   91   93                                                       
CONECT   93   92   94                                                       
CONECT   94   93   95                                                       
CONECT   95   94                                                            
MASTER        0    0    0    0    0    0    0    0   95    0  196    0
END
Download

3D PDB for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

COMPND    HMDB0004966
HETATM    1  C1  UNL     1       2.765  -2.805   1.375  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.265  -2.863   1.169  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.635  -1.672   0.314  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.081  -1.599  -0.014  1.00  0.00           C  
HETATM    5  C5  UNL     1       7.030  -1.462   1.126  1.00  0.00           C  
HETATM    6  C6  UNL     1       6.840  -0.188   1.924  1.00  0.00           C  
HETATM    7  C7  UNL     1       7.870  -0.110   3.039  1.00  0.00           C  
HETATM    8  C8  UNL     1       7.794  -1.187   4.047  1.00  0.00           C  
HETATM    9  C9  UNL     1       6.516  -1.189   4.863  1.00  0.00           C  
HETATM   10  C10 UNL     1       6.355   0.067   5.646  1.00  0.00           C  
HETATM   11  C11 UNL     1       5.103   0.042   6.470  1.00  0.00           C  
HETATM   12  C12 UNL     1       5.039  -1.101   7.425  1.00  0.00           C  
HETATM   13  C13 UNL     1       3.823  -0.991   8.278  1.00  0.00           C  
HETATM   14  C14 UNL     1       2.526  -0.945   7.619  1.00  0.00           C  
HETATM   15  C15 UNL     1       1.521  -1.799   7.764  1.00  0.00           C  
HETATM   16  C16 UNL     1       0.245  -1.642   7.039  1.00  0.00           C  
HETATM   17  O1  UNL     1      -0.144  -0.275   7.041  1.00  0.00           O  
HETATM   18  C17 UNL     1       0.382  -1.973   5.546  1.00  0.00           C  
HETATM   19  C18 UNL     1      -0.934  -1.643   4.892  1.00  0.00           C  
HETATM   20  O2  UNL     1      -0.889  -1.872   3.540  1.00  0.00           O  
HETATM   21  C19 UNL     1      -2.098  -1.504   2.911  1.00  0.00           C  
HETATM   22  O3  UNL     1      -2.689  -2.639   2.414  1.00  0.00           O  
HETATM   23  C20 UNL     1      -3.832  -2.305   1.670  1.00  0.00           C  
HETATM   24  C21 UNL     1      -4.663  -3.539   1.425  1.00  0.00           C  
HETATM   25  O4  UNL     1      -3.980  -4.510   0.723  1.00  0.00           O  
HETATM   26  C22 UNL     1      -3.440  -1.606   0.400  1.00  0.00           C  
HETATM   27  O5  UNL     1      -4.550  -1.208  -0.344  1.00  0.00           O  
HETATM   28  C23 UNL     1      -4.533  -1.727  -1.655  1.00  0.00           C  
HETATM   29  O6  UNL     1      -4.088  -0.712  -2.527  1.00  0.00           O  
HETATM   30  C24 UNL     1      -4.572  -0.997  -3.768  1.00  0.00           C  
HETATM   31  C25 UNL     1      -3.848  -0.379  -4.912  1.00  0.00           C  
HETATM   32  O7  UNL     1      -2.518  -0.819  -4.872  1.00  0.00           O  
HETATM   33  C26 UNL     1      -6.054  -0.575  -3.712  1.00  0.00           C  
HETATM   34  O8  UNL     1      -6.181   0.580  -2.949  1.00  0.00           O  
HETATM   35  C27 UNL     1      -6.605   1.692  -3.685  1.00  0.00           C  
HETATM   36  O9  UNL     1      -7.872   2.120  -3.396  1.00  0.00           O  
HETATM   37  C28 UNL     1      -8.305   3.300  -3.898  1.00  0.00           C  
HETATM   38  C29 UNL     1      -9.070   3.028  -5.177  1.00  0.00           C  
HETATM   39  O10 UNL     1      -8.195   2.401  -6.061  1.00  0.00           O  
HETATM   40  C30 UNL     1      -7.227   4.309  -4.252  1.00  0.00           C  
HETATM   41  O11 UNL     1      -6.760   3.986  -5.524  1.00  0.00           O  
HETATM   42  C31 UNL     1      -6.131   4.051  -3.184  1.00  0.00           C  
HETATM   43  O12 UNL     1      -5.275   5.114  -3.196  1.00  0.00           O  
HETATM   44  C32 UNL     1      -5.458   5.883  -2.085  1.00  0.00           C  
HETATM   45  O13 UNL     1      -5.823   7.172  -2.464  1.00  0.00           O  
HETATM   46  C33 UNL     1      -6.175   7.963  -1.405  1.00  0.00           C  
HETATM   47  C34 UNL     1      -5.441   9.304  -1.378  1.00  0.00           C  
HETATM   48  O14 UNL     1      -5.874  10.056  -0.266  1.00  0.00           O  
HETATM   49  C35 UNL     1      -6.070   7.262  -0.073  1.00  0.00           C  
HETATM   50  O15 UNL     1      -6.157   8.254   0.923  1.00  0.00           O  
HETATM   51  C36 UNL     1      -4.811   6.500   0.146  1.00  0.00           C  
HETATM   52  O16 UNL     1      -3.887   7.138   0.933  1.00  0.00           O  
HETATM   53  C37 UNL     1      -4.242   6.045  -1.194  1.00  0.00           C  
HETATM   54  N1  UNL     1      -3.444   4.870  -1.056  1.00  0.00           N  
HETATM   55  C38 UNL     1      -2.056   4.887  -1.323  1.00  0.00           C  
HETATM   56  C39 UNL     1      -1.247   3.671  -1.176  1.00  0.00           C  
HETATM   57  O17 UNL     1      -1.522   5.960  -1.689  1.00  0.00           O  
HETATM   58  C40 UNL     1      -5.533   2.754  -3.620  1.00  0.00           C  
HETATM   59  O18 UNL     1      -4.497   2.325  -2.811  1.00  0.00           O  
HETATM   60  C41 UNL     1      -6.713  -1.703  -2.979  1.00  0.00           C  
HETATM   61  O19 UNL     1      -7.900  -1.275  -2.358  1.00  0.00           O  
HETATM   62  C42 UNL     1      -5.798  -2.363  -1.981  1.00  0.00           C  
HETATM   63  O20 UNL     1      -5.527  -3.660  -2.480  1.00  0.00           O  
HETATM   64  C43 UNL     1      -2.766  -0.290   0.831  1.00  0.00           C  
HETATM   65  O21 UNL     1      -2.208   0.380  -0.256  1.00  0.00           O  
HETATM   66  C44 UNL     1      -1.696  -0.539   1.821  1.00  0.00           C  
HETATM   67  O22 UNL     1      -0.590  -1.094   1.157  1.00  0.00           O  
HETATM   68  N2  UNL     1       0.710  -3.341   5.303  1.00  0.00           N  
HETATM   69  C45 UNL     1       2.010  -3.870   5.107  1.00  0.00           C  
HETATM   70  O23 UNL     1       2.999  -3.130   5.163  1.00  0.00           O  
HETATM   71  C46 UNL     1       2.179  -5.333   4.825  1.00  0.00           C  
HETATM   72  C47 UNL     1       3.619  -5.696   4.844  1.00  0.00           C  
HETATM   73  C48 UNL     1       3.977  -7.086   4.485  1.00  0.00           C  
HETATM   74  C49 UNL     1       3.836  -7.541   3.098  1.00  0.00           C  
HETATM   75  C50 UNL     1       2.558  -7.406   2.371  1.00  0.00           C  
HETATM   76  C51 UNL     1       2.757  -8.071   0.996  1.00  0.00           C  
HETATM   77  C52 UNL     1       1.550  -7.945   0.113  1.00  0.00           C  
HETATM   78  C53 UNL     1       1.237  -6.489  -0.172  1.00  0.00           C  
HETATM   79  C54 UNL     1       0.031  -6.428  -1.088  1.00  0.00           C  
HETATM   80  C55 UNL     1      -0.270  -4.974  -1.356  1.00  0.00           C  
HETATM   81  C56 UNL     1       0.827  -4.224  -2.047  1.00  0.00           C  
HETATM   82  C57 UNL     1       0.358  -2.788  -2.186  1.00  0.00           C  
HETATM   83  C58 UNL     1       1.374  -1.903  -2.874  1.00  0.00           C  
HETATM   84  C59 UNL     1       0.770  -0.495  -2.877  1.00  0.00           C  
HETATM   85  C60 UNL     1       1.732   0.476  -3.526  1.00  0.00           C  
HETATM   86  C61 UNL     1       1.116   1.863  -3.466  1.00  0.00           C  
HETATM   87  C62 UNL     1       2.058   2.868  -4.094  1.00  0.00           C  
HETATM   88  C63 UNL     1       1.414   4.241  -3.977  1.00  0.00           C  
HETATM   89  C64 UNL     1       2.277   5.325  -4.563  1.00  0.00           C  
HETATM   90  C65 UNL     1       3.582   5.387  -3.877  1.00  0.00           C  
HETATM   91  C66 UNL     1       4.515   6.455  -4.349  1.00  0.00           C  
HETATM   92  C67 UNL     1       3.981   7.849  -4.184  1.00  0.00           C  
HETATM   93  C68 UNL     1       3.671   8.171  -2.732  1.00  0.00           C  
HETATM   94  C69 UNL     1       4.879   8.072  -1.862  1.00  0.00           C  
HETATM   95  C70 UNL     1       4.446   8.404  -0.438  1.00  0.00           C  
HETATM   96  H1  UNL     1       2.490  -3.027   2.419  1.00  0.00           H  
HETATM   97  H2  UNL     1       2.255  -3.606   0.766  1.00  0.00           H  
HETATM   98  H3  UNL     1       2.328  -1.841   1.052  1.00  0.00           H  
HETATM   99  H4  UNL     1       4.781  -2.868   2.148  1.00  0.00           H  
HETATM  100  H5  UNL     1       4.501  -3.804   0.669  1.00  0.00           H  
HETATM  101  H6  UNL     1       4.248  -0.747   0.806  1.00  0.00           H  
HETATM  102  H7  UNL     1       4.065  -1.769  -0.635  1.00  0.00           H  
HETATM  103  H8  UNL     1       6.330  -2.496  -0.648  1.00  0.00           H  
HETATM  104  H9  UNL     1       6.195  -0.731  -0.733  1.00  0.00           H  
HETATM  105  H10 UNL     1       6.840  -2.336   1.818  1.00  0.00           H  
HETATM  106  H11 UNL     1       8.058  -1.570   0.749  1.00  0.00           H  
HETATM  107  H12 UNL     1       5.816  -0.148   2.285  1.00  0.00           H  
HETATM  108  H13 UNL     1       7.013   0.669   1.256  1.00  0.00           H  
HETATM  109  H14 UNL     1       8.862  -0.217   2.500  1.00  0.00           H  
HETATM  110  H15 UNL     1       7.893   0.913   3.439  1.00  0.00           H  
HETATM  111  H16 UNL     1       8.613  -1.083   4.798  1.00  0.00           H  
HETATM  112  H17 UNL     1       7.938  -2.170   3.557  1.00  0.00           H  
HETATM  113  H18 UNL     1       6.482  -2.059   5.542  1.00  0.00           H  
HETATM  114  H19 UNL     1       5.683  -1.297   4.144  1.00  0.00           H  
HETATM  115  H20 UNL     1       7.211   0.166   6.377  1.00  0.00           H  
HETATM  116  H21 UNL     1       6.282   0.977   5.009  1.00  0.00           H  
HETATM  117  H22 UNL     1       5.057   0.983   7.062  1.00  0.00           H  
HETATM  118  H23 UNL     1       4.217   0.024   5.794  1.00  0.00           H  
HETATM  119  H24 UNL     1       4.997  -2.098   6.927  1.00  0.00           H  
HETATM  120  H25 UNL     1       5.920  -1.048   8.118  1.00  0.00           H  
HETATM  121  H26 UNL     1       3.849  -1.771   9.110  1.00  0.00           H  
HETATM  122  H27 UNL     1       3.931  -0.027   8.869  1.00  0.00           H  
HETATM  123  H28 UNL     1       2.326  -0.125   6.918  1.00  0.00           H  
HETATM  124  H29 UNL     1       1.674  -2.626   8.449  1.00  0.00           H  
HETATM  125  H30 UNL     1      -0.568  -2.212   7.458  1.00  0.00           H  
HETATM  126  H31 UNL     1      -0.559  -0.048   7.923  1.00  0.00           H  
HETATM  127  H32 UNL     1       1.220  -1.277   5.226  1.00  0.00           H  
HETATM  128  H33 UNL     1      -1.675  -2.368   5.346  1.00  0.00           H  
HETATM  129  H34 UNL     1      -1.247  -0.606   5.151  1.00  0.00           H  
HETATM  130  H35 UNL     1      -2.747  -1.100   3.685  1.00  0.00           H  
HETATM  131  H36 UNL     1      -4.425  -1.603   2.280  1.00  0.00           H  
HETATM  132  H37 UNL     1      -4.891  -3.969   2.434  1.00  0.00           H  
HETATM  133  H38 UNL     1      -5.623  -3.237   1.009  1.00  0.00           H  
HETATM  134  H39 UNL     1      -4.341  -5.397   1.013  1.00  0.00           H  
HETATM  135  H40 UNL     1      -2.742  -2.244  -0.158  1.00  0.00           H  
HETATM  136  H41 UNL     1      -3.664  -2.440  -1.665  1.00  0.00           H  
HETATM  137  H42 UNL     1      -4.580  -2.091  -3.923  1.00  0.00           H  
HETATM  138  H43 UNL     1      -3.827   0.716  -4.931  1.00  0.00           H  
HETATM  139  H44 UNL     1      -4.247  -0.820  -5.863  1.00  0.00           H  
HETATM  140  H45 UNL     1      -2.541  -1.810  -4.826  1.00  0.00           H  
HETATM  141  H46 UNL     1      -6.429  -0.488  -4.738  1.00  0.00           H  
HETATM  142  H47 UNL     1      -6.644   1.330  -4.732  1.00  0.00           H  
HETATM  143  H48 UNL     1      -8.996   3.848  -3.180  1.00  0.00           H  
HETATM  144  H49 UNL     1      -9.902   2.295  -4.983  1.00  0.00           H  
HETATM  145  H50 UNL     1      -9.496   3.958  -5.609  1.00  0.00           H  
HETATM  146  H51 UNL     1      -8.302   2.643  -6.994  1.00  0.00           H  
HETATM  147  H52 UNL     1      -7.639   5.309  -4.172  1.00  0.00           H  
HETATM  148  H53 UNL     1      -6.267   4.740  -5.929  1.00  0.00           H  
HETATM  149  H54 UNL     1      -6.718   4.016  -2.236  1.00  0.00           H  
HETATM  150  H55 UNL     1      -6.315   5.465  -1.484  1.00  0.00           H  
HETATM  151  H56 UNL     1      -7.257   8.217  -1.546  1.00  0.00           H  
HETATM  152  H57 UNL     1      -5.676   9.914  -2.267  1.00  0.00           H  
HETATM  153  H58 UNL     1      -4.346   9.180  -1.341  1.00  0.00           H  
HETATM  154  H59 UNL     1      -5.078  10.379   0.234  1.00  0.00           H  
HETATM  155  H60 UNL     1      -6.991   6.644   0.036  1.00  0.00           H  
HETATM  156  H61 UNL     1      -5.416   8.214   1.548  1.00  0.00           H  
HETATM  157  H62 UNL     1      -5.113   5.548   0.676  1.00  0.00           H  
HETATM  158  H63 UNL     1      -3.278   6.502   1.425  1.00  0.00           H  
HETATM  159  H64 UNL     1      -3.649   6.908  -1.563  1.00  0.00           H  
HETATM  160  H65 UNL     1      -3.913   3.984  -0.742  1.00  0.00           H  
HETATM  161  H66 UNL     1      -0.152   3.903  -1.068  1.00  0.00           H  
HETATM  162  H67 UNL     1      -1.328   2.982  -2.034  1.00  0.00           H  
HETATM  163  H68 UNL     1      -1.492   3.092  -0.249  1.00  0.00           H  
HETATM  164  H69 UNL     1      -5.129   2.912  -4.637  1.00  0.00           H  
HETATM  165  H70 UNL     1      -3.678   2.829  -3.011  1.00  0.00           H  
HETATM  166  H71 UNL     1      -7.048  -2.449  -3.750  1.00  0.00           H  
HETATM  167  H72 UNL     1      -8.331  -0.526  -2.861  1.00  0.00           H  
HETATM  168  H73 UNL     1      -6.460  -2.574  -1.085  1.00  0.00           H  
HETATM  169  H74 UNL     1      -4.929  -4.147  -1.825  1.00  0.00           H  
HETATM  170  H75 UNL     1      -3.594   0.316   1.296  1.00  0.00           H  
HETATM  171  H76 UNL     1      -2.800   1.107  -0.607  1.00  0.00           H  
HETATM  172  H77 UNL     1      -1.418   0.425   2.294  1.00  0.00           H  
HETATM  173  H78 UNL     1      -0.812  -2.049   0.983  1.00  0.00           H  
HETATM  174  H79 UNL     1      -0.136  -4.005   5.276  1.00  0.00           H  
HETATM  175  H80 UNL     1       1.568  -5.623   3.994  1.00  0.00           H  
HETATM  176  H81 UNL     1       1.649  -5.812   5.731  1.00  0.00           H  
HETATM  177  H82 UNL     1       4.199  -4.992   4.169  1.00  0.00           H  
HETATM  178  H83 UNL     1       4.008  -5.404   5.867  1.00  0.00           H  
HETATM  179  H84 UNL     1       3.496  -7.769   5.238  1.00  0.00           H  
HETATM  180  H85 UNL     1       5.091  -7.190   4.737  1.00  0.00           H  
HETATM  181  H86 UNL     1       4.613  -6.976   2.474  1.00  0.00           H  
HETATM  182  H87 UNL     1       4.196  -8.614   3.046  1.00  0.00           H  
HETATM  183  H88 UNL     1       1.673  -7.806   2.830  1.00  0.00           H  
HETATM  184  H89 UNL     1       2.400  -6.305   2.127  1.00  0.00           H  
HETATM  185  H90 UNL     1       3.621  -7.585   0.456  1.00  0.00           H  
HETATM  186  H91 UNL     1       2.990  -9.133   1.164  1.00  0.00           H  
HETATM  187  H92 UNL     1       0.678  -8.493   0.467  1.00  0.00           H  
HETATM  188  H93 UNL     1       1.835  -8.403  -0.870  1.00  0.00           H  
HETATM  189  H94 UNL     1       0.986  -5.991   0.804  1.00  0.00           H  
HETATM  190  H95 UNL     1       2.076  -5.989  -0.672  1.00  0.00           H  
HETATM  191  H96 UNL     1       0.205  -6.939  -2.034  1.00  0.00           H  
HETATM  192  H97 UNL     1      -0.844  -6.846  -0.537  1.00  0.00           H  
HETATM  193  H98 UNL     1      -1.181  -4.901  -2.005  1.00  0.00           H  
HETATM  194  H99 UNL     1      -0.562  -4.463  -0.400  1.00  0.00           H  
HETATM  195  HA0 UNL     1       0.984  -4.705  -3.033  1.00  0.00           H  
HETATM  196  HA1 UNL     1       1.790  -4.196  -1.536  1.00  0.00           H  
HETATM  197  HA2 UNL     1       0.191  -2.420  -1.145  1.00  0.00           H  
HETATM  198  HA3 UNL     1      -0.618  -2.815  -2.701  1.00  0.00           H  
HETATM  199  HA4 UNL     1       2.300  -1.943  -2.302  1.00  0.00           H  
HETATM  200  HA5 UNL     1       1.524  -2.264  -3.896  1.00  0.00           H  
HETATM  201  HA6 UNL     1       0.624  -0.244  -1.802  1.00  0.00           H  
HETATM  202  HA7 UNL     1      -0.207  -0.484  -3.388  1.00  0.00           H  
HETATM  203  HA8 UNL     1       2.674   0.453  -2.941  1.00  0.00           H  
HETATM  204  HA9 UNL     1       1.915   0.241  -4.582  1.00  0.00           H  
HETATM  205  HB0 UNL     1       1.055   2.148  -2.378  1.00  0.00           H  
HETATM  206  HB1 UNL     1       0.131   1.813  -3.950  1.00  0.00           H  
HETATM  207  HB2 UNL     1       3.016   2.796  -3.586  1.00  0.00           H  
HETATM  208  HB3 UNL     1       2.185   2.612  -5.175  1.00  0.00           H  
HETATM  209  HB4 UNL     1       1.295   4.389  -2.858  1.00  0.00           H  
HETATM  210  HB5 UNL     1       0.378   4.230  -4.359  1.00  0.00           H  
HETATM  211  HB6 UNL     1       2.335   5.115  -5.652  1.00  0.00           H  
HETATM  212  HB7 UNL     1       1.720   6.286  -4.363  1.00  0.00           H  
HETATM  213  HB8 UNL     1       4.130   4.419  -4.029  1.00  0.00           H  
HETATM  214  HB9 UNL     1       3.440   5.467  -2.779  1.00  0.00           H  
HETATM  215  HC0 UNL     1       5.460   6.383  -3.784  1.00  0.00           H  
HETATM  216  HC1 UNL     1       4.763   6.325  -5.426  1.00  0.00           H  
HETATM  217  HC2 UNL     1       4.840   8.532  -4.459  1.00  0.00           H  
HETATM  218  HC3 UNL     1       3.158   8.121  -4.834  1.00  0.00           H  
HETATM  219  HC4 UNL     1       3.352   9.241  -2.715  1.00  0.00           H  
HETATM  220  HC5 UNL     1       2.804   7.594  -2.355  1.00  0.00           H  
HETATM  221  HC6 UNL     1       5.587   8.886  -2.180  1.00  0.00           H  
HETATM  222  HC7 UNL     1       5.384   7.097  -1.874  1.00  0.00           H  
HETATM  223  HC8 UNL     1       4.265   7.425   0.078  1.00  0.00           H  
HETATM  224  HC9 UNL     1       5.252   8.913   0.122  1.00  0.00           H  
HETATM  225  HD0 UNL     1       3.497   8.957  -0.390  1.00  0.00           H  
CONECT    1    2   96   97   98
CONECT    2    3   99  100
CONECT    3    4  101  102
CONECT    4    5  103  104
CONECT    5    6  105  106
CONECT    6    7  107  108
CONECT    7    8  109  110
CONECT    8    9  111  112
CONECT    9   10  113  114
CONECT   10   11  115  116
CONECT   11   12  117  118
CONECT   12   13  119  120
CONECT   13   14  121  122
CONECT   14   15   15  123
CONECT   15   16  124
CONECT   16   17   18  125
CONECT   17  126
CONECT   18   19   68  127
CONECT   19   20  128  129
CONECT   20   21
CONECT   21   22   66  130
CONECT   22   23
CONECT   23   24   26  131
CONECT   24   25  132  133
CONECT   25  134
CONECT   26   27   64  135
CONECT   27   28
CONECT   28   29   62  136
CONECT   29   30
CONECT   30   31   33  137
CONECT   31   32  138  139
CONECT   32  140
CONECT   33   34   60  141
CONECT   34   35
CONECT   35   36   58  142
CONECT   36   37
CONECT   37   38   40  143
CONECT   38   39  144  145
CONECT   39  146
CONECT   40   41   42  147
CONECT   41  148
CONECT   42   43   58  149
CONECT   43   44
CONECT   44   45   53  150
CONECT   45   46
CONECT   46   47   49  151
CONECT   47   48  152  153
CONECT   48  154
CONECT   49   50   51  155
CONECT   50  156
CONECT   51   52   53  157
CONECT   52  158
CONECT   53   54  159
CONECT   54   55  160
CONECT   55   56   57   57
CONECT   56  161  162  163
CONECT   58   59  164
CONECT   59  165
CONECT   60   61   62  166
CONECT   61  167
CONECT   62   63  168
CONECT   63  169
CONECT   64   65   66  170
CONECT   65  171
CONECT   66   67  172
CONECT   67  173
CONECT   68   69  174
CONECT   69   70   70   71
CONECT   71   72  175  176
CONECT   72   73  177  178
CONECT   73   74  179  180
CONECT   74   75  181  182
CONECT   75   76  183  184
CONECT   76   77  185  186
CONECT   77   78  187  188
CONECT   78   79  189  190
CONECT   79   80  191  192
CONECT   80   81  193  194
CONECT   81   82  195  196
CONECT   82   83  197  198
CONECT   83   84  199  200
CONECT   84   85  201  202
CONECT   85   86  203  204
CONECT   86   87  205  206
CONECT   87   88  207  208
CONECT   88   89  209  210
CONECT   89   90  211  212
CONECT   90   91  213  214
CONECT   91   92  215  216
CONECT   92   93  217  218
CONECT   93   94  219  220
CONECT   94   95  221  222
CONECT   95  223  224  225
END
Download

SMILES for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Download

INCHI for HMDB0004966 (Tetrahexosylceramide (d18:1/26:0))

InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61?,62+,63+,64+,65-,66-,67-,68+,69-,70+/m0/s1
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanimidateHMDB
CQHHMDB
Cytolipin KHMDB
GalNAc-beta1->3gal-alpha1->3gal-beta1->4GLC-beta1->1'cerHMDB
Ganglioside GB4HMDB
Ganglioside GL 4HMDB
Gb4HMDB
GB4CerHMDB
Globo-N-tetraosylceramideHMDB
GlobosidateHMDB
GlobosideHMDB
Globoside GB 4HMDB
Globoside GL 4HMDB
Globoside IHMDB
Globosidic acidHMDB
GlobotetraosylceramideHMDB
IGb4cerHMDB
N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramideHMDB
N-Acetyl-delta-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramideHMDB
N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramideHMDB
N-Acetyl-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramideHMDB
Parvovirus b19 receptorHMDB
Chemical FormulaC70H130N2O23
Average Molecular Weight1367.7808
Monoisotopic Molecular Weight1366.906438476
IUPAC NameN-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
Traditional NameN-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
InChI Identifier
InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61?,62+,63+,64+,65-,66-,67-,68+,69-,70+/m0/s1
InChI KeyFLMFNAJOWBHBBY-NLJQPXDCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSphingolipids
Sub ClassGlycosphingolipids
Direct ParentGlycosyl-N-acylsphingosines
Alternative Parents
Substituents
  • Glycosyl-n-acylsphingosine
  • Oligosaccharide
  • Fatty acyl glycoside
  • N-acyl-alpha-hexosamine
  • Alkyl glycoside
  • Glycosyl compound
  • O-glycosyl compound
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Oxane
  • Acetamide
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Acetal
  • Oxacycle
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0Not Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.017 g/LALOGPS
logP5.22ALOGPS
logP7.94ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)11.59ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count23ChemAxon
Hydrogen Donor Count15ChemAxon
Polar Surface Area395.03 ŲChemAxon
Rotatable Bond Count53ChemAxon
Refractivity352.54 m³·mol⁻¹ChemAxon
Polarizability159.87 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+356.62430932474
DeepCCS[M-H]-354.96530932474
DeepCCS[M-2H]-389.45530932474
DeepCCS[M+Na]+362.930932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahexosylceramide (d18:1/26:0) 10V, Negative-QTOFsplash10-014i-1019000000-41560a653ac829b289c32021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahexosylceramide (d18:1/26:0) 20V, Negative-QTOFsplash10-044i-2859032032-f65ee425d9f010f002b92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahexosylceramide (d18:1/26:0) 40V, Negative-QTOFsplash10-0a70-9674315120-2860f4ed5abf5ac7e9702021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahexosylceramide (d18:1/26:0) 10V, Positive-QTOFsplash10-014j-1019013010-08cf4be716afe6d4e27d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahexosylceramide (d18:1/26:0) 20V, Positive-QTOFsplash10-00o0-0619022021-c452e578e8f3c43ea3652021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahexosylceramide (d18:1/26:0) 40V, Positive-QTOFsplash10-00l7-8957013000-bac45c29e9d67c886e8d2021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Breast Milk
Tissue Locations
  • Brain
  • Erythrocyte
  • Fibroblasts
  • Kidney
  • Liver
  • Neuron
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Breast MilkDetected and Quantified0.0764794 +/- 0.0104290 uMAdult (>18 years old)FemaleNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023553
KNApSAcK IDNot Available
Chemspider ID16744951
KEGG Compound IDC03272
BioCyc IDN-ACETYL-D-GALACTOSAMINYL-13-D-GALACT
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID7219
PubChem Compound20057351
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Ohdoi C, Nyhan WL, Kuhara T: Chemical diagnosis of Lesch-Nyhan syndrome using gas chromatography-mass spectrometry detection. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Jul 15;792(1):123-30. [PubMed:12829005 ]
  2. Ledvinova J, Poupetova H, Hanackova A, Pisacka M, Elleder M: Blood group B glycosphingolipids in alpha-galactosidase deficiency (Fabry disease): influence of secretor status. Biochim Biophys Acta. 1997 Apr 1;1345(2):180-7. [PubMed:9106497 ]
  3. Choudhury A, Dominguez M, Puri V, Sharma DK, Narita K, Wheatley CL, Marks DL, Pagano RE: Rab proteins mediate Golgi transport of caveola-internalized glycosphingolipids and correct lipid trafficking in Niemann-Pick C cells. J Clin Invest. 2002 Jun;109(12):1541-50. [PubMed:12070301 ]
  4. Ogawa-Goto K, Ohta Y, Kubota K, Funamoto N, Abe T, Taki T, Nagashima K: Glycosphingolipids of human peripheral nervous system myelins isolated from cauda equina. J Neurochem. 1993 Oct;61(4):1398-403. [PubMed:7690848 ]
  5. Kannagi R, Fukuda MN, Hakomori S: A new glycolipid antigen isolated from human erythrocyte membranes reacting with antibodies directed to globo-N-tetraosylceramide (globoside). J Biol Chem. 1982 Apr 25;257(8):4438-42. [PubMed:7068643 ]
  6. Kunishita T, Taketomi T: Sphingomyelin storage in a patient with myoclonus epilepsy as a main clinical symptom -- a varient in Niemann-Pick disease type C. Jpn J Exp Med. 1979 Apr;49(2):151-6. [PubMed:113605 ]
  7. Zdebska E, Mendek-Czajkowska E, Ploski R, Woeniewicz B, Koscielak J: Heterozygosity of CDAN II (HEMPAS) gene may be detected by the analysis of erythrocyte membrane glycoconjugates from healthy carriers. Haematologica. 2002 Feb;87(2):126-30. [PubMed:11836161 ]
  8. Dawson G, Kruski AW, Scanu AM: Distribution of glycosphingolipids in the serum lipoproteins of normal human subjects and patients with hypo- and hyperlipidemias. J Lipid Res. 1976 Mar;17(2):125-31. [PubMed:178813 ]
  9. Hansson GC, Wazniowska K, Rock JA, Ness PM, Kickler TS, Shirey RS, Niebyl JR, Zopf D: The glycosphingolipid composition of the placenta of a blood group P fetus delivered by a blood group Pk1 woman and analysis of the anti-globoside antibodies found in maternal serum. Arch Biochem Biophys. 1988 Jan;260(1):168-76. [PubMed:3341739 ]
  10. Tillack TW, Allietta M, Moran RE, Young WW Jr: Localization of globoside and Forssman glycolipids on erythrocyte membranes. Biochim Biophys Acta. 1983 Aug 24;733(1):15-24. [PubMed:6603868 ]
  11. Marcus DM, Naiki M, Kundu SK: Abnormalities in the glycosphingolipid content of human Pk and p erythrocytes. Proc Natl Acad Sci U S A. 1976 Sep;73(9):3263-7. [PubMed:1067617 ]
  12. Kundu SK, Steane SM, Bloom JE, Marcus DM: Abnormal glycolipid composition of erythrocytes with a weak P antigen. Vox Sang. 1978 Sep;35(3):160-7. [PubMed:676244 ]
  13. Tatematsu M, Imaida K, Ito N, Togari H, Suzuki Y, Ogiu T: Sandhoff disease. Acta Pathol Jpn. 1981 May;31(3):503-12. [PubMed:7270152 ]
  14. Zdebska E, Anselstetter V, Pacuszka T, Krauze R, Chelstowska A, Heimpel H, Koscielak J: Glycolipids and glycopeptides of red cell membranes in congenital dyserythropoietic anaemia type II (CDA II). Br J Haematol. 1987 Jul;66(3):385-91. [PubMed:3620357 ]
  15. Snyder PD Jr, Krivit W, Sweeley CC: Generalized accumulation of neutral glycosphingolipids with G M2 ganglioside accumulation in the brain. J Lipid Res. 1972 Jan;13(1):128-36. [PubMed:5059190 ]
  16. Leffler H, Lomberg H, Gotschlich E, Hagberg L, Jodal U, Korhonen T, Samuelsson BE, Schoolnik G, Svanborg-Eden C: Chemical and clinical studies on the interaction of Escherichia coli with host glycolipid receptors in urinary tract infection. Scand J Infect Dis Suppl. 1982;33:46-51. [PubMed:6127802 ]
  17. Kijimoto-Ochiai S, Naiki M, Makita A: Defects of glycosyltransferase activities in human fibroblasts of Pk and p blood group phenotypes. Proc Natl Acad Sci U S A. 1977 Dec;74(12):5407-10. [PubMed:271963 ]

Only showing the first 10 proteins. There are 59 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Galactocerebrosidase
General function:
Involved in galactosylceramidase activity
Specific function:
Hydrolyzes the galactose ester bonds of galactosylceramide, galactosylsphingosine, lactosylceramide, and monogalactosyldiglyceride. Enzyme with very low activity responsible for the lysosomal catabolism of galactosylceramide, a major lipid in myelin, kidney and epithelial cells of small intestine and colon.
Gene Name:
GALC
Uniprot ID:
P54803
Molecular weight:
77062.86
Enzyme Details
2. Globoside alpha-1,3-N-acetylgalactosaminyltransferase 1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Catalyzes the formation of some glycolipid via the addition of N-acetylgalactosamine (GalNAc) in alpha-1,3-linkage to some substrate. Glycolipids probably serve for adherence of some pathogens
Gene Name:
GBGT1
Uniprot ID:
Q8N5D6
Molecular weight:
40126.9
Enzyme Details
3. N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase
General function:
Involved in N-acetylglucosaminylphosphatidylinositol de
Specific function:
Involved in the second step of GPI biosynthesis. De-N-acetylation of N-acetylglucosaminyl-phosphatidylinositol.
Gene Name:
PIGL
Uniprot ID:
Q9Y2B2
Molecular weight:
28530.965
Enzyme Details
4. Sphingomyelin phosphodiesterase
General function:
Involved in hydrolase activity
Specific function:
Converts sphingomyelin to ceramide. Also has phospholipase C activities toward 1,2-diacylglycerolphosphocholine and 1,2-diacylglycerolphosphoglycerol. Isoform 2 and isoform 3 have lost catalytic activity.
Gene Name:
SMPD1
Uniprot ID:
P17405
Molecular weight:
69935.53
Enzyme Details
5. Ceramide glucosyltransferase
General function:
Cell wall/membrane/envelope biogenesis
Specific function:
Catalyzes the first glycosylation step in glycosphingolipid biosynthesis, the transfer of glucose to ceramide. May also serve as a "flippase".
Gene Name:
UGCG
Uniprot ID:
Q16739
Molecular weight:
44853.255
Enzyme Details
6. Phosphatidylinositol N-acetylglucosaminyltransferase subunit Q
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGQ
Uniprot ID:
Q9BRB3
Molecular weight:
65343.25
Enzyme Details
7. Phosphatidylinositol N-acetylglucosaminyltransferase subunit A
General function:
Involved in biosynthetic process
Specific function:
Necessary for the synthesis of N-acetylglucosaminyl-phosphatidylinositol, the very early intermediate in GPI-anchor biosynthesis.
Gene Name:
PIGA
Uniprot ID:
P37287
Molecular weight:
54126.065
Enzyme Details
8. Phosphatidylinositol N-acetylglucosaminyltransferase subunit H
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGH
Uniprot ID:
Q14442
Molecular weight:
21080.415
Enzyme Details
9. Phosphatidylinositol N-acetylglucosaminyltransferase subunit P
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGP
Uniprot ID:
P57054
Molecular weight:
18089.055
Enzyme Details
10. Phosphatidylinositol N-acetylglucosaminyltransferase subunit C
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGC
Uniprot ID:
Q92535
Molecular weight:
33582.18

Only showing the first 10 proteins. There are 59 proteins in total.

Show all enzymes and transporters