Hmdb loader

Showing metabocard for Mannosyl-inositol-phosphorylceramide (HMDB0012257)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (59) Show 59 proteinsXML
enzymes (59) Show 59 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:21:52 UTC
Update Date2022-03-07 02:51:22 UTC
HMDB IDHMDB0012257
Secondary Accession Numbers
  • HMDB12257
Metabolite Identification
Common NameMannosyl-inositol-phosphorylceramide
DescriptionMannosyl-inositol-phosphorylceramide, also known as MIPC, belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. Mannosyl-inositol-phosphorylceramide is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1582753034
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)


  Mrv0541 02241203532D          

 76 77  0  0  0  0            999 V2000
   15.7658  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4803  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1948  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9093  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6238  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3382  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0527  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7672  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4816  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1961  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9106  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6251  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3396  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0540  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7685  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3369  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -10.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7658  -11.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6224  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3369  -13.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -13.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -14.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4803  -13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9092  -13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6238  -13.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3382  -13.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7672  -13.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9106  -13.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6250  -13.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.3409  -13.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   32.1988  -13.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7547  -13.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080  -12.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935  -11.7866    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7809  -12.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4790   -8.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8769   -9.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1935   -7.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9080   -8.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6224   -7.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6225   -6.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080   -8.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3370   -8.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3370   -6.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080   -5.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6225   -5.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 75 69  1  0  0  0  0
 76 75  1  0  0  0  0
M  END
Download

3D MOL for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)

HMDB0012257
     RDKit          3D
Mannosyl-inositol-phosphorylceramide
186187  0  0  0  0  0  0  0  0999 V2000
    6.4488   -2.0448    2.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9360   -2.7929    3.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9200   -3.4932    4.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -4.5832    4.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -4.2549    2.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5175   -5.5301    2.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922   -5.3131    1.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -4.7904    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -4.6565   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -5.9831   -1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437   -6.0249   -2.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -5.6438   -3.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201   -5.9110   -5.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -5.6486   -6.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094   -4.2329   -6.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -3.3811   -7.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769   -1.9453   -7.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -1.9970   -8.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226   -0.7666   -9.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315    0.3928   -8.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371    0.1715   -7.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540    1.5332   -7.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    1.4645   -5.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8362    0.9747   -4.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4589    0.8649   -3.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9585    2.0979   -3.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299    0.6937   -2.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753   -0.3658   -2.6114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638    1.7128   -1.6363 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    1.7834   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.9502   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105    4.1947   -0.8089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    5.3322   -1.0333 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2163    6.4173    0.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    6.0647   -2.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496    4.5677   -0.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    5.3750   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5789    5.4604   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    6.0341   -2.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766    6.0798   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    7.4301    0.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8124    5.4650    1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823    6.1016    2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8493    5.2747    2.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1479    5.3581    3.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1842    4.5583    4.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9939    5.2582    5.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1609    5.5298    6.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0890    4.0692    3.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3338    3.7919    3.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2874    5.0904    1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6302    4.3661    0.7976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    5.8666    1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2290    7.1808    2.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    5.4780    2.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698    4.6896    3.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    4.8897    1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443    3.5006    1.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.4968    0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7101    1.7558    1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748    0.0836    0.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658   -0.2420    0.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294   -0.6953    1.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339   -0.9003    1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3011   -1.5480    2.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643   -1.7351    1.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249   -2.2381    2.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4388   -2.5184    2.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0885   -1.4587    1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4509   -0.1530    1.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3919    0.0036    3.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0239   -0.5813    4.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1254   -0.2873    5.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9725   -0.8059    6.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8382   -0.3724    7.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -0.7489    7.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0831   -1.0917    2.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -2.5723    1.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4152   -1.7097    2.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7407   -3.5290    3.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)


  Mrv0541 02241203532D          

 76 77  0  0  0  0            999 V2000
   15.7658  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4803  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1948  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9093  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6238  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3382  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0527  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7672  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4816  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1961  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9106  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6251  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3396  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0540  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7685  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3369  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -10.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7658  -11.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6224  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3369  -13.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -13.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514  -14.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7658  -13.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4803  -13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1948  -13.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9092  -13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6238  -13.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3382  -13.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0527  -13.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7672  -13.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4816  -13.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1961  -13.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9106  -13.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.3396  -13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.3409  -13.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0554  -13.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7699  -13.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4844  -13.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1988  -13.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9133  -13.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7547  -13.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080  -12.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935  -11.7866    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.6060  -11.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790  -11.3741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7809  -12.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790  -10.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7645  -10.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935  -10.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7645   -9.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935   -9.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790   -8.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080  -10.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8769   -9.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790   -8.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0501   -8.8991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500  -10.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935   -7.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935   -6.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080   -8.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080   -6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6224   -7.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6225   -6.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080   -8.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3370   -8.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3370   -6.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9080   -5.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6225   -5.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 16  1  1  0  0  0  0
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 19  1  1  0  0  0  0
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 48 47  1  0  0  0  0
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 75 69  1  0  0  0  0
 76 75  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012257

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-50(66)48(64)53(49(65)51(54)67)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71)

> <INCHI_KEY>
ZKFACHLEPWMTPW-UHFFFAOYSA-N

> <FORMULA>
C56H110NO18P

> <MOLECULAR_WEIGHT>
1116.4423

> <EXACT_MASS>
1115.746052233

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
132.4305789198467

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
13

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acid

> <ALOGPS_LOGP>
5.83

> <JCHEM_LOGP>
8.791212925000004

> <ALOGPS_LOGS>
-5.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.961312991699632

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8429067030880533

> <JCHEM_PKA_STRONGEST_BASIC>
-3.653626817443822

> <JCHEM_POLAR_SURFACE_AREA>
325.85

> <JCHEM_REFRACTIVITY>
288.9589999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
48

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.54e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)

HMDB0012257
     RDKit          3D
Mannosyl-inositol-phosphorylceramide
186187  0  0  0  0  0  0  0  0999 V2000
    6.4488   -2.0448    2.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9360   -2.7929    3.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9200   -3.4932    4.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -4.5832    4.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -4.2549    2.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5175   -5.5301    2.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922   -5.3131    1.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -4.7904    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -4.6565   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -5.9831   -1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437   -6.0249   -2.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -5.6438   -3.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201   -5.9110   -5.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -5.6486   -6.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094   -4.2329   -6.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -3.3811   -7.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769   -1.9453   -7.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -1.9970   -8.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226   -0.7666   -9.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315    0.3928   -8.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371    0.1715   -7.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540    1.5332   -7.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    1.4645   -5.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8362    0.9747   -4.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4589    0.8649   -3.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9585    2.0979   -3.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299    0.6937   -2.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753   -0.3658   -2.6114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638    1.7128   -1.6363 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    1.7834   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.9502   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105    4.1947   -0.8089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    5.3322   -1.0333 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2163    6.4173    0.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    6.0647   -2.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496    4.5677   -0.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    5.3750   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5789    5.4604   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    6.0341   -2.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766    6.0798   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    7.4301    0.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8124    5.4650    1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823    6.1016    2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8493    5.2747    2.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1479    5.3581    3.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1842    4.5583    4.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9939    5.2582    5.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1609    5.5298    6.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0890    4.0692    3.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3338    3.7919    3.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2874    5.0904    1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6302    4.3661    0.7976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    5.8666    1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2290    7.1808    2.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    5.4780    2.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698    4.6896    3.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    4.8897    1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443    3.5006    1.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.4968    0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7101    1.7558    1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748    0.0836    0.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658   -0.2420    0.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294   -0.6953    1.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339   -0.9003    1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3011   -1.5480    2.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643   -1.7351    1.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249   -2.2381    2.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4388   -2.5184    2.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0885   -1.4587    1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4509   -0.1530    1.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3919    0.0036    3.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0239   -0.5813    4.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1254   -0.2873    5.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9725   -0.8059    6.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8382   -0.3724    7.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -0.7489    7.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0831   -1.0917    2.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -2.5723    1.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4152   -1.7097    2.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7407   -3.5290    3.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5554   -2.0808    4.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793   -3.9022    5.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2130   -2.7482    5.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8034   -5.4585    3.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892   -5.0605    4.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238   -3.5685    3.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6835   -3.7498    2.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2928   -6.2494    2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980   -5.9408    3.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0637   -6.2716    1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -4.5805    1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529   -5.3228   -0.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423   -3.7364    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -3.9792   -0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0554   -4.2232   -1.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6989   -6.7889   -1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -6.2826   -0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -7.0682   -2.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2330   -5.3836   -2.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961   -6.2405   -3.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -4.5620   -3.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624   -5.2396   -5.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137   -6.9515   -5.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568   -6.3147   -6.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      29.429 -22.772   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      30.763 -22.002   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      32.097 -22.772   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      33.431 -22.002   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      34.764 -22.772   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      36.098 -22.002   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      37.432 -22.772   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      38.765 -22.002   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      40.099 -22.772   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      41.433 -22.002   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      42.766 -22.772   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      44.100 -22.002   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      45.434 -22.772   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      46.767 -22.002   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      48.101 -22.772   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      28.096 -22.002   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      26.762 -22.772   0.000  0.00  0.00           C+0
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HETATM   19  O   UNK     0      29.429 -21.306   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      25.428 -22.002   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      26.762 -24.312   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      28.096 -25.082   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      28.096 -26.622   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      29.429 -24.312   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      30.763 -25.082   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      32.097 -24.312   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      33.431 -25.082   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      34.764 -24.312   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      36.098 -25.082   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      37.432 -24.312   0.000  0.00  0.00           C+0
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HETATM   61  O   UNK     0      24.095 -19.692   0.000  0.00  0.00           O+0
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HETATM   75  C   UNK     0      24.095 -10.452   0.000  0.00  0.00           C+0
HETATM   76  O   UNK     0      25.429  -9.682   0.000  0.00  0.00           O+0
CONECT    1    2   16   19                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16    1   17   18                                                  
CONECT   17   16   20   21                                                  
CONECT   18   16                                                            
CONECT   19    1                                                            
CONECT   20   17   50                                                       
CONECT   21   17   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   49                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
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   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47                                                            
CONECT   49   24                                                            
CONECT   50   20   51                                                       
CONECT   51   52   53   54   50                                             
CONECT   52   51                                                            
CONECT   53   51   55                                                       
CONECT   54   51                                                            
CONECT   55   56   57   53                                                  
CONECT   56   55   58   65                                                  
CONECT   57   55   59   61                                                  
CONECT   58   56   60   64                                                  
CONECT   59   57   60   62                                                  
CONECT   60   58   59   63                                                  
CONECT   61   57                                                            
CONECT   62   59                                                            
CONECT   63   60   66                                                       
CONECT   64   58                                                            
CONECT   65   56                                                            
CONECT   66   67   68   63                                                  
CONECT   67   66   69                                                       
CONECT   68   66   70   72                                                  
CONECT   69   67   71   75                                                  
CONECT   70   68   71   73                                                  
CONECT   71   69   70   74                                                  
CONECT   72   68                                                            
CONECT   73   70                                                            
CONECT   74   71                                                            
CONECT   75   69   76                                                       
CONECT   76   75                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  154    0
END
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3D PDB for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)

COMPND    HMDB0012257
HETATM    1  C1  UNL     1       6.449  -2.045   2.729  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.936  -2.793   3.907  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.920  -3.493   4.710  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.138  -4.583   4.104  1.00  0.00           C  
HETATM    5  C5  UNL     1       4.234  -4.255   2.964  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.518  -5.530   2.513  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.592  -5.313   1.344  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.321  -4.790   0.144  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.464  -4.657  -1.111  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.900  -5.983  -1.504  1.00  0.00           C  
HETATM   11  C11 UNL     1       1.144  -6.025  -2.777  1.00  0.00           C  
HETATM   12  C12 UNL     1       1.969  -5.644  -3.986  1.00  0.00           C  
HETATM   13  C13 UNL     1       1.120  -5.911  -5.215  1.00  0.00           C  
HETATM   14  C14 UNL     1       1.846  -5.649  -6.488  1.00  0.00           C  
HETATM   15  C15 UNL     1       2.209  -4.233  -6.822  1.00  0.00           C  
HETATM   16  C16 UNL     1       1.014  -3.381  -7.101  1.00  0.00           C  
HETATM   17  C17 UNL     1       1.377  -1.945  -7.528  1.00  0.00           C  
HETATM   18  C18 UNL     1       2.330  -1.997  -8.667  1.00  0.00           C  
HETATM   19  C19 UNL     1       2.723  -0.767  -9.371  1.00  0.00           C  
HETATM   20  C20 UNL     1       3.232   0.393  -8.637  1.00  0.00           C  
HETATM   21  C21 UNL     1       4.337   0.171  -7.639  1.00  0.00           C  
HETATM   22  C22 UNL     1       4.754   1.533  -7.166  1.00  0.00           C  
HETATM   23  C23 UNL     1       5.686   1.465  -5.942  1.00  0.00           C  
HETATM   24  C24 UNL     1       4.836   0.975  -4.818  1.00  0.00           C  
HETATM   25  C25 UNL     1       5.459   0.865  -3.442  1.00  0.00           C  
HETATM   26  O1  UNL     1       5.958   2.098  -3.094  1.00  0.00           O  
HETATM   27  C26 UNL     1       4.230   0.694  -2.521  1.00  0.00           C  
HETATM   28  O2  UNL     1       3.575  -0.366  -2.611  1.00  0.00           O  
HETATM   29  N1  UNL     1       3.864   1.713  -1.636  1.00  0.00           N  
HETATM   30  C27 UNL     1       2.753   1.783  -0.776  1.00  0.00           C  
HETATM   31  C28 UNL     1       1.842   2.950  -0.972  1.00  0.00           C  
HETATM   32  O3  UNL     1       2.410   4.195  -0.809  1.00  0.00           O  
HETATM   33  P1  UNL     1       1.148   5.332  -1.033  1.00  0.00           P  
HETATM   34  O4  UNL     1       1.216   6.417   0.020  1.00  0.00           O  
HETATM   35  O5  UNL     1       1.233   6.065  -2.541  1.00  0.00           O  
HETATM   36  O6  UNL     1      -0.350   4.568  -0.854  1.00  0.00           O  
HETATM   37  C29 UNL     1      -1.273   5.375  -0.148  1.00  0.00           C  
HETATM   38  C30 UNL     1      -2.579   5.460  -0.850  1.00  0.00           C  
HETATM   39  O7  UNL     1      -2.431   6.034  -2.101  1.00  0.00           O  
HETATM   40  C31 UNL     1      -3.677   6.080  -0.056  1.00  0.00           C  
HETATM   41  O8  UNL     1      -3.404   7.430   0.123  1.00  0.00           O  
HETATM   42  C32 UNL     1      -3.812   5.465   1.324  1.00  0.00           C  
HETATM   43  O9  UNL     1      -4.782   6.102   2.070  1.00  0.00           O  
HETATM   44  C33 UNL     1      -5.849   5.275   2.389  1.00  0.00           C  
HETATM   45  O10 UNL     1      -6.148   5.358   3.740  1.00  0.00           O  
HETATM   46  C34 UNL     1      -7.184   4.558   4.152  1.00  0.00           C  
HETATM   47  C35 UNL     1      -7.994   5.258   5.229  1.00  0.00           C  
HETATM   48  O11 UNL     1      -7.161   5.530   6.310  1.00  0.00           O  
HETATM   49  C36 UNL     1      -8.089   4.069   3.054  1.00  0.00           C  
HETATM   50  O12 UNL     1      -9.334   3.792   3.610  1.00  0.00           O  
HETATM   51  C37 UNL     1      -8.287   5.090   1.954  1.00  0.00           C  
HETATM   52  O13 UNL     1      -8.630   4.366   0.798  1.00  0.00           O  
HETATM   53  C38 UNL     1      -7.054   5.867   1.640  1.00  0.00           C  
HETATM   54  O14 UNL     1      -7.229   7.181   2.047  1.00  0.00           O  
HETATM   55  C39 UNL     1      -2.512   5.478   2.052  1.00  0.00           C  
HETATM   56  O15 UNL     1      -2.670   4.690   3.207  1.00  0.00           O  
HETATM   57  C40 UNL     1      -1.376   4.890   1.288  1.00  0.00           C  
HETATM   58  O16 UNL     1      -1.444   3.501   1.296  1.00  0.00           O  
HETATM   59  C41 UNL     1       2.968   1.497   0.714  1.00  0.00           C  
HETATM   60  O17 UNL     1       1.710   1.756   1.328  1.00  0.00           O  
HETATM   61  C42 UNL     1       3.375   0.084   0.956  1.00  0.00           C  
HETATM   62  O18 UNL     1       4.666  -0.242   0.690  1.00  0.00           O  
HETATM   63  C43 UNL     1       2.629  -0.695   1.979  1.00  0.00           C  
HETATM   64  C44 UNL     1       1.234  -0.900   1.556  1.00  0.00           C  
HETATM   65  C45 UNL     1       0.301  -1.548   2.568  1.00  0.00           C  
HETATM   66  C46 UNL     1      -1.064  -1.735   1.885  1.00  0.00           C  
HETATM   67  C47 UNL     1      -2.125  -2.238   2.763  1.00  0.00           C  
HETATM   68  C48 UNL     1      -3.439  -2.518   2.113  1.00  0.00           C  
HETATM   69  C49 UNL     1      -4.088  -1.459   1.367  1.00  0.00           C  
HETATM   70  C50 UNL     1      -4.451  -0.153   1.929  1.00  0.00           C  
HETATM   71  C51 UNL     1      -5.392   0.004   3.024  1.00  0.00           C  
HETATM   72  C52 UNL     1      -5.024  -0.581   4.378  1.00  0.00           C  
HETATM   73  C53 UNL     1      -6.125  -0.287   5.370  1.00  0.00           C  
HETATM   74  C54 UNL     1      -5.972  -0.806   6.743  1.00  0.00           C  
HETATM   75  C55 UNL     1      -4.838  -0.372   7.579  1.00  0.00           C  
HETATM   76  C56 UNL     1      -3.473  -0.749   7.096  1.00  0.00           C  
HETATM   77  H1  UNL     1       7.083  -1.092   2.590  1.00  0.00           H  
HETATM   78  H2  UNL     1       6.576  -2.572   1.778  1.00  0.00           H  
HETATM   79  H3  UNL     1       5.415  -1.710   2.868  1.00  0.00           H  
HETATM   80  H4  UNL     1       7.741  -3.529   3.550  1.00  0.00           H  
HETATM   81  H5  UNL     1       7.555  -2.081   4.556  1.00  0.00           H  
HETATM   82  H6  UNL     1       6.479  -3.902   5.632  1.00  0.00           H  
HETATM   83  H7  UNL     1       5.213  -2.748   5.211  1.00  0.00           H  
HETATM   84  H8  UNL     1       5.803  -5.459   3.816  1.00  0.00           H  
HETATM   85  H9  UNL     1       4.489  -5.060   4.918  1.00  0.00           H  
HETATM   86  H10 UNL     1       3.424  -3.569   3.367  1.00  0.00           H  
HETATM   87  H11 UNL     1       4.683  -3.750   2.114  1.00  0.00           H  
HETATM   88  H12 UNL     1       4.293  -6.249   2.236  1.00  0.00           H  
HETATM   89  H13 UNL     1       2.898  -5.941   3.350  1.00  0.00           H  
HETATM   90  H14 UNL     1       2.064  -6.272   1.105  1.00  0.00           H  
HETATM   91  H15 UNL     1       1.793  -4.581   1.615  1.00  0.00           H  
HETATM   92  H16 UNL     1       4.253  -5.323  -0.074  1.00  0.00           H  
HETATM   93  H17 UNL     1       3.642  -3.736   0.395  1.00  0.00           H  
HETATM   94  H18 UNL     1       1.621  -3.979  -0.847  1.00  0.00           H  
HETATM   95  H19 UNL     1       3.055  -4.223  -1.919  1.00  0.00           H  
HETATM   96  H20 UNL     1       2.699  -6.789  -1.459  1.00  0.00           H  
HETATM   97  H21 UNL     1       1.220  -6.283  -0.642  1.00  0.00           H  
HETATM   98  H22 UNL     1       0.736  -7.068  -2.923  1.00  0.00           H  
HETATM   99  H23 UNL     1       0.233  -5.384  -2.687  1.00  0.00           H  
HETATM  100  H24 UNL     1       2.896  -6.240  -3.968  1.00  0.00           H  
HETATM  101  H25 UNL     1       2.192  -4.562  -3.961  1.00  0.00           H  
HETATM  102  H26 UNL     1       0.262  -5.240  -5.159  1.00  0.00           H  
HETATM  103  H27 UNL     1       0.714  -6.952  -5.160  1.00  0.00           H  
HETATM  104  H28 UNL     1       2.757  -6.315  -6.579  1.00  0.00           H  
HETATM  105  H29 UNL     1       1.182  -6.009  -7.327  1.00  0.00           H  
HETATM  106  H30 UNL     1       2.724  -3.794  -5.927  1.00  0.00           H  
HETATM  107  H31 UNL     1       2.930  -4.261  -7.670  1.00  0.00           H  
HETATM  108  H32 UNL     1       0.409  -3.288  -6.160  1.00  0.00           H  
HETATM  109  H33 UNL     1       0.443  -3.822  -7.941  1.00  0.00           H  
HETATM  110  H34 UNL     1       0.473  -1.363  -7.732  1.00  0.00           H  
HETATM  111  H35 UNL     1       1.867  -1.509  -6.633  1.00  0.00           H  
HETATM  112  H36 UNL     1       1.994  -2.793  -9.411  1.00  0.00           H  
HETATM  113  H37 UNL     1       3.324  -2.456  -8.304  1.00  0.00           H  
HETATM  114  H38 UNL     1       1.804  -0.443  -9.973  1.00  0.00           H  
HETATM  115  H39 UNL     1       3.450  -1.019 -10.209  1.00  0.00           H  
HETATM  116  H40 UNL     1       2.406   0.901  -8.070  1.00  0.00           H  
HETATM  117  H41 UNL     1       3.642   1.125  -9.392  1.00  0.00           H  
HETATM  118  H42 UNL     1       4.048  -0.531  -6.855  1.00  0.00           H  
HETATM  119  H43 UNL     1       5.242  -0.247  -8.173  1.00  0.00           H  
HETATM  120  H44 UNL     1       3.903   2.164  -6.846  1.00  0.00           H  
HETATM  121  H45 UNL     1       5.305   2.056  -7.984  1.00  0.00           H  
HETATM  122  H46 UNL     1       6.508   0.774  -6.212  1.00  0.00           H  
HETATM  123  H47 UNL     1       6.065   2.497  -5.774  1.00  0.00           H  
HETATM  124  H48 UNL     1       3.926   1.624  -4.700  1.00  0.00           H  
HETATM  125  H49 UNL     1       4.443  -0.056  -5.082  1.00  0.00           H  
HETATM  126  H50 UNL     1       6.050   0.001  -3.346  1.00  0.00           H  
HETATM  127  H51 UNL     1       5.801   2.786  -3.774  1.00  0.00           H  
HETATM  128  H52 UNL     1       4.565   2.557  -1.645  1.00  0.00           H  
HETATM  129  H53 UNL     1       2.090   0.877  -1.094  1.00  0.00           H  
HETATM  130  H54 UNL     1       0.946   2.800  -0.327  1.00  0.00           H  
HETATM  131  H55 UNL     1       1.467   2.912  -2.021  1.00  0.00           H  
HETATM  132  H56 UNL     1       1.159   5.374  -3.272  1.00  0.00           H  
HETATM  133  H57 UNL     1      -0.819   6.381  -0.083  1.00  0.00           H  
HETATM  134  H58 UNL     1      -2.897   4.389  -1.049  1.00  0.00           H  
HETATM  135  H59 UNL     1      -2.703   6.970  -2.157  1.00  0.00           H  
HETATM  136  H60 UNL     1      -4.648   6.004  -0.584  1.00  0.00           H  
HETATM  137  H61 UNL     1      -2.540   7.498   0.602  1.00  0.00           H  
HETATM  138  H62 UNL     1      -4.125   4.415   1.161  1.00  0.00           H  
HETATM  139  H63 UNL     1      -5.743   4.235   2.012  1.00  0.00           H  
HETATM  140  H64 UNL     1      -6.755   3.657   4.645  1.00  0.00           H  
HETATM  141  H65 UNL     1      -8.501   6.145   4.829  1.00  0.00           H  
HETATM  142  H66 UNL     1      -8.729   4.495   5.606  1.00  0.00           H  
HETATM  143  H67 UNL     1      -6.959   4.675   6.759  1.00  0.00           H  
HETATM  144  H68 UNL     1      -7.724   3.128   2.588  1.00  0.00           H  
HETATM  145  H69 UNL     1      -9.937   4.545   3.392  1.00  0.00           H  
HETATM  146  H70 UNL     1      -9.167   5.710   2.206  1.00  0.00           H  
HETATM  147  H71 UNL     1      -8.866   3.423   1.021  1.00  0.00           H  
HETATM  148  H72 UNL     1      -6.814   5.889   0.553  1.00  0.00           H  
HETATM  149  H73 UNL     1      -7.756   7.278   2.866  1.00  0.00           H  
HETATM  150  H74 UNL     1      -2.271   6.510   2.439  1.00  0.00           H  
HETATM  151  H75 UNL     1      -2.815   5.235   4.005  1.00  0.00           H  
HETATM  152  H76 UNL     1      -0.439   5.189   1.848  1.00  0.00           H  
HETATM  153  H77 UNL     1      -1.446   3.087   2.176  1.00  0.00           H  
HETATM  154  H78 UNL     1       3.687   2.197   1.107  1.00  0.00           H  
HETATM  155  H79 UNL     1       1.909   1.936   2.282  1.00  0.00           H  
HETATM  156  H80 UNL     1       2.876  -0.446  -0.056  1.00  0.00           H  
HETATM  157  H81 UNL     1       5.280   0.387   1.120  1.00  0.00           H  
HETATM  158  H82 UNL     1       3.195  -1.679   2.062  1.00  0.00           H  
HETATM  159  H83 UNL     1       2.655  -0.256   3.000  1.00  0.00           H  
HETATM  160  H84 UNL     1       1.235  -1.595   0.621  1.00  0.00           H  
HETATM  161  H85 UNL     1       0.736  -0.015   1.210  1.00  0.00           H  
HETATM  162  H86 UNL     1       0.150  -0.847   3.405  1.00  0.00           H  
HETATM  163  H87 UNL     1       0.727  -2.471   2.949  1.00  0.00           H  
HETATM  164  H88 UNL     1      -0.856  -2.435   1.026  1.00  0.00           H  
HETATM  165  H89 UNL     1      -1.253  -0.754   1.407  1.00  0.00           H  
HETATM  166  H90 UNL     1      -1.759  -3.086   3.365  1.00  0.00           H  
HETATM  167  H91 UNL     1      -2.337  -1.423   3.521  1.00  0.00           H  
HETATM  168  H92 UNL     1      -4.138  -3.070   2.749  1.00  0.00           H  
HETATM  169  H93 UNL     1      -3.172  -3.331   1.324  1.00  0.00           H  
HETATM  170  H94 UNL     1      -5.112  -1.899   1.050  1.00  0.00           H  
HETATM  171  H95 UNL     1      -3.656  -1.290   0.330  1.00  0.00           H  
HETATM  172  H96 UNL     1      -3.537   0.479   2.183  1.00  0.00           H  
HETATM  173  H97 UNL     1      -4.865   0.457   1.044  1.00  0.00           H  
HETATM  174  H98 UNL     1      -5.545   1.108   3.209  1.00  0.00           H  
HETATM  175  H99 UNL     1      -6.454  -0.329   2.759  1.00  0.00           H  
HETATM  176  HA0 UNL     1      -4.104  -0.081   4.755  1.00  0.00           H  
HETATM  177  HA1 UNL     1      -4.955  -1.665   4.288  1.00  0.00           H  
HETATM  178  HA2 UNL     1      -6.243   0.850   5.480  1.00  0.00           H  
HETATM  179  HA3 UNL     1      -7.128  -0.557   4.914  1.00  0.00           H  
HETATM  180  HA4 UNL     1      -6.912  -0.653   7.354  1.00  0.00           H  
HETATM  181  HA5 UNL     1      -5.873  -1.946   6.646  1.00  0.00           H  
HETATM  182  HA6 UNL     1      -4.852   0.727   7.811  1.00  0.00           H  
HETATM  183  HA7 UNL     1      -4.947  -0.875   8.593  1.00  0.00           H  
HETATM  184  HA8 UNL     1      -2.892   0.090   6.682  1.00  0.00           H  
HETATM  185  HA9 UNL     1      -3.534  -1.588   6.384  1.00  0.00           H  
HETATM  186  HB0 UNL     1      -2.835  -1.127   7.969  1.00  0.00           H  
CONECT    1    2   77   78   79
CONECT    2    3   80   81
CONECT    3    4   82   83
CONECT    4    5   84   85
CONECT    5    6   86   87
CONECT    6    7   88   89
CONECT    7    8   90   91
CONECT    8    9   92   93
CONECT    9   10   94   95
CONECT   10   11   96   97
CONECT   11   12   98   99
CONECT   12   13  100  101
CONECT   13   14  102  103
CONECT   14   15  104  105
CONECT   15   16  106  107
CONECT   16   17  108  109
CONECT   17   18  110  111
CONECT   18   19  112  113
CONECT   19   20  114  115
CONECT   20   21  116  117
CONECT   21   22  118  119
CONECT   22   23  120  121
CONECT   23   24  122  123
CONECT   24   25  124  125
CONECT   25   26   27  126
CONECT   26  127
CONECT   27   28   28   29
CONECT   29   30  128
CONECT   30   31   59  129
CONECT   31   32  130  131
CONECT   32   33
CONECT   33   34   34   35   36
CONECT   35  132
CONECT   36   37
CONECT   37   38   57  133
CONECT   38   39   40  134
CONECT   39  135
CONECT   40   41   42  136
CONECT   41  137
CONECT   42   43   55  138
CONECT   43   44
CONECT   44   45   53  139
CONECT   45   46
CONECT   46   47   49  140
CONECT   47   48  141  142
CONECT   48  143
CONECT   49   50   51  144
CONECT   50  145
CONECT   51   52   53  146
CONECT   52  147
CONECT   53   54  148
CONECT   54  149
CONECT   55   56   57  150
CONECT   56  151
CONECT   57   58  152
CONECT   58  153
CONECT   59   60   61  154
CONECT   60  155
CONECT   61   62   63  156
CONECT   62  157
CONECT   63   64  158  159
CONECT   64   65  160  161
CONECT   65   66  162  163
CONECT   66   67  164  165
CONECT   67   68  166  167
CONECT   68   69  168  169
CONECT   69   70  170  171
CONECT   70   71  172  173
CONECT   71   72  174  175
CONECT   72   73  176  177
CONECT   73   74  178  179
CONECT   74   75  180  181
CONECT   75   76  182  183
CONECT   76  184  185  186
END
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SMILES for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)

CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC
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INCHI for HMDB0012257 (Mannosyl-inositol-phosphorylceramide)

InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-50(66)48(64)53(49(65)51(54)67)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
MIPCHMDB
N-[3,4-Dihydroxy-1-({hydroxy[(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphoryl}oxy)octadecan-2-yl]-2-hydroxyhexacosanimidateGenerator
Chemical FormulaC56H110NO18P
Average Molecular Weight1116.4423
Monoisotopic Molecular Weight1115.746052233
IUPAC Name{[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acid
Traditional Name[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxyphosphinic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-50(66)48(64)53(49(65)51(54)67)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71)
InChI KeyZKFACHLEPWMTPW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSphingolipids
Sub ClassPhosphosphingolipids
Direct ParentPhosphosphingolipids
Alternative Parents
Substituents
  • Sphingoid-1-phosphate or derivatives
  • Inositol phosphate
  • Fatty acyl glycoside
  • Fatty acyl glycoside of mono- or disaccharide
  • Alkyl glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Monosaccharide phosphate
  • Phosphoethanolamine
  • Cyclohexanol
  • Dialkyl phosphate
  • Cyclitol or derivatives
  • Fatty amide
  • Fatty acyl
  • Alkyl phosphate
  • Monosaccharide
  • N-acyl-amine
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Cyclic alcohol
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Polyol
  • Carboxylic acid derivative
  • Oxacycle
  • Acetal
  • Organoheterocyclic compound
  • Carbonyl group
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0035 g/LALOGPS
logP5.83ALOGPS
logP8.79ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)1.84ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count13ChemAxon
Polar Surface Area325.85 ŲChemAxon
Rotatable Bond Count48ChemAxon
Refractivity288.96 m³·mol⁻¹ChemAxon
Polarizability132.43 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+312.99930932474
DeepCCS[M-H]-311.28130932474
DeepCCS[M-2H]-345.31430932474
DeepCCS[M+Na]+319.09130932474
AllCCS[M+H]+320.032859911
AllCCS[M+H-H2O]+319.932859911
AllCCS[M+NH4]+320.032859911
AllCCS[M+Na]+320.032859911
AllCCS[M-H]-325.932859911
AllCCS[M+Na-2H]-328.632859911
AllCCS[M+HCOO]-331.732859911

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannosyl-inositol-phosphorylceramide 10V, Negative-QTOFsplash10-03di-1900000001-8bc77ebed061f49fa60f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannosyl-inositol-phosphorylceramide 20V, Negative-QTOFsplash10-03di-9801100203-01178bd97d0ee804b6782021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannosyl-inositol-phosphorylceramide 40V, Negative-QTOFsplash10-00g3-9040200012-4a9b7465f5d2f65de19e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannosyl-inositol-phosphorylceramide 10V, Positive-QTOFsplash10-0006-8300004901-44b4b8733dc14cfbb72f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannosyl-inositol-phosphorylceramide 20V, Positive-QTOFsplash10-000i-9702013418-8394e4348d76e61255a92021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannosyl-inositol-phosphorylceramide 40V, Positive-QTOFsplash10-0006-9202000000-38219942978be63df0df2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028896
KNApSAcK IDNot Available
Chemspider ID24765756
KEGG Compound IDNot Available
BioCyc IDMIPC
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25246093
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. Hechtberger P, Daum G: Intracellular transport of inositol-containing sphingolipids in the yeast, Saccharomyces cerevisiae. FEBS Lett. 1995 Jun 26;367(2):201-4. [PubMed:7796921 ]
  2. Hechtberger P, Zinser E, Saf R, Hummel K, Paltauf F, Daum G: Characterization, quantification and subcellular localization of inositol-containing sphingolipids of the yeast, Saccharomyces cerevisiae. Eur J Biochem. 1994 Oct 15;225(2):641-9. [PubMed:7957179 ]
  3. Beeler TJ, Fu D, Rivera J, Monaghan E, Gable K, Dunn TM: SUR1 (CSG1/BCL21), a gene necessary for growth of Saccharomyces cerevisiae in the presence of high Ca2+ concentrations at 37 degrees C, is required for mannosylation of inositolphosphorylceramide. Mol Gen Genet. 1997 Aug;255(6):570-9. [PubMed:9323360 ]
  4. Abeijon C, Yanagisawa K, Mandon EC, Hausler A, Moremen K, Hirschberg CB, Robbins PW: Guanosine diphosphatase is required for protein and sphingolipid glycosylation in the Golgi lumen of Saccharomyces cerevisiae. J Cell Biol. 1993 Jul;122(2):307-23. [PubMed:8391537 ]
  5. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  6. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  7. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  8. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  9. Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
  10. Ghosh S, Strum JC, Bell RM: Lipid biochemistry: functions of glycerolipids and sphingolipids in cellular signaling. FASEB J. 1997 Jan;11(1):45-50. [PubMed:9034165 ]
  11. Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
  12. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

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