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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 15:12:16 UTC

Update Date

2022-03-07 02:49:17 UTC

HMDB ID

HMDB0002869

Secondary Accession Numbers

HMDB0006850
HMDB02869
HMDB06850

Metabolite Identification

Common Name

Campesterol

Description

Campesterol is a phytosterol, meaning it is a steroid derived from plants. As a food additive, phytosterols have cholesterol-lowering properties (reducing cholesterol absorption in intestines), and may act in cancer prevention. Phytosterols naturally occur in small amount in vegetable oils, especially soybean oil. One such phytosterol complex, isolated from vegetable oil, is cholestatin, composed of campesterol, stigmasterol, and brassicasterol, and is marketed as a dietary supplement. Sterols can reduce cholesterol in human subjects by up to 15%. The mechanism behind phytosterols and the lowering of cholesterol occurs as follows : the incorporation of cholesterol into micelles in the gastrointestinal tract is inhibited, decreasing the overall amount of cholesterol absorbed. This may in turn help to control body total cholesterol levels, as well as modify HDL, LDL and TAG levels. Many margarines, butters, breakfast cereals and spreads are now enriched with phytosterols and marketed towards people with high cholesterol and a wish to lower it. -- Wikipedia .

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309272007282D          

 33 36  0  0  0  0            999 V2000
 9999.976210000.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8391 9999.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.6978 9997.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5515 9998.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2638 9999.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9762 9998.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9999.263810000.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5493 9999.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 9998.5516 9999.1469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.8371 9998.7344    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.8371 9997.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5516 9997.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10000.763010001.0596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.478710001.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.192310001.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10000.049410001.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.478710000.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
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 14  2  1  1  0  0  0
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 20  6  1  6  0  0  0
 18 20  1  0  0  0  0
  7 19  1  0  0  0  0
 19  1  1  1  0  0  0
M  END

HMDB0002869
     RDKit          3D
Campesterol
 77 80  0  0  0  0  0  0  0  0999 V2000
    5.7322    1.9647   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4514    1.2922    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1271   -0.1488    0.5772 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.7835   -0.4561    1.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    0.0101    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308   -0.4148    1.0675 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -4.4116    0.2220    0.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309272007282D          

 33 36  0  0  0  0            999 V2000
 9999.976210000.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8391 9999.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 9999.9762 9998.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9999.263810000.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5493 9999.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1260 9999.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4115 9998.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10000.7630 9998.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10001.478710000.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
 20  6  1  6  0  0  0
 18 20  1  0  0  0  0
  7 19  1  0  0  0  0
 19  1  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0002869

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

> <INCHI_KEY>
SGNBVLSWZMBQTH-PODYLUTMSA-N

> <FORMULA>
C28H48O

> <MOLECULAR_WEIGHT>
400.691

> <EXACT_MASS>
400.370516166

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
52.305049785248436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

> <ALOGPS_LOGP>
6.81

> <JCHEM_LOGP>
7.399908127000002

> <ALOGPS_LOGS>
-7.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.20428950550382

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3972437702926293

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
125.16509999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.19e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HMDB0002869
     RDKit          3D
Campesterol
 77 80  0  0  0  0  0  0  0  0999 V2000
    5.7322    1.9647   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4514    1.2922    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9615    1.4529    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271   -0.1488    0.5772 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4338   -0.9952   -0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7835   -0.4561    1.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    0.0101    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308   -0.4148    1.0675 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4270    0.2953    2.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    0.0444    0.1880 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4583   -0.6675   -1.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871   -0.9649   -1.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -0.2613   -0.7943 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2392   -0.7014   -0.7896 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8409   -0.7492   -2.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3016   -0.9789   -2.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0085   -0.5440   -1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4634   -0.8164   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1465    0.5320   -0.9059 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4481    0.2911   -0.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5098    1.5229   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0201    1.6399   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4116    0.2220    0.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9569   -0.2318    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404    0.2808    0.1241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3865    0.0203    1.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898    0.2276    1.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492   -0.4952    0.5303 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0012   -1.9628    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1830    1.2932   -1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5051    2.4547   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0881    2.8173   -0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030    1.8689    1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2433    1.6050   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    0.5370    0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3436    2.3329    0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8694   -0.5207    1.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6471   -0.8636   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4560   -0.8403   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825   -2.0655   -0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -0.0132    2.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -1.5728    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048   -0.3495   -0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    1.1322    0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3872   -1.5083    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104    1.2005    2.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8816   -0.3470    3.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4666    0.7287    2.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001    1.1259    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -1.5954   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404    0.0657   -1.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -0.5770   -2.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -2.0537   -1.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786    0.8234   -1.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711   -1.7065   -0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.1376   -2.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656   -1.6239   -2.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7604   -1.5557   -2.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7701   -1.5006   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7811   -1.3100   -1.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2718    0.8902   -1.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6564   -0.6573   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8854    1.4256    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9109    2.5352   -0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6778    2.2743    0.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7229    2.0864   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0566   -0.4002    1.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5312   -1.1877    1.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8307    0.6177    2.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918    1.3121   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8280    0.6095    2.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284   -1.0820    1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182    1.2826    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6079   -0.2746    2.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -2.0184    1.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -2.4538    1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -2.4868    0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  1
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  3 34  1  0
  3 35  1  0
  3 36  1  0
  4 37  1  1
  5 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  7 43  1  0
  7 44  1  0
  8 45  1  1
  9 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  6
 11 50  1  0
 11 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  6
 14 55  1  1
 15 56  1  0
 15 57  1  0
 16 58  1  0
 18 59  1  0
 18 60  1  0
 19 61  1  6
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 24 67  1  0
 24 68  1  0
 24 69  1  0
 25 70  1  6
 26 71  1  0
 26 72  1  0
 27 73  1  0
 27 74  1  0
 29 75  1  0
 29 76  1  0
 29 77  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8666.6228668.173   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8662.6338665.847   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8658.6368661.984   0.000  0.00  0.00           O+0
HETATM    4  H   UNK     0    8663.9638663.543   0.000  0.00  0.00           H+0
HETATM    5  H   UNK     0    8665.2928665.847   0.000  0.00  0.00           H+0
HETATM    6  H   UNK     0    8666.6228663.543   0.000  0.00  0.00           H+0
HETATM    7  C   UNK     0    8665.2928667.399   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8663.9598666.629   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8661.3028665.071   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8659.9688664.301   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8659.9688662.761   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8661.3028661.991   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8663.9638665.074   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8662.6298664.304   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8662.6298662.764   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8663.9638661.994   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8665.2978662.764   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8665.2978664.304   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8666.6268666.629   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8666.6268665.089   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8668.0918664.613   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8668.9968665.859   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8668.0918667.105   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8668.0918668.645   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8669.4278669.411   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8670.7598668.645   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8672.0958669.411   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8673.4318668.645   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8674.7638669.411   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8673.4318667.105   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8672.0958670.951   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8666.7598669.411   0.000  0.00  0.00           C+0
HETATM   33  H   UNK     0    8669.4278667.871   0.000  0.00  0.00           H+0
CONECT    1   19                                                            
CONECT    2   14                                                            
CONECT    3   11                                                            
CONECT    4   13                                                            
CONECT    5   18                                                            
CONECT    6   20                                                            
CONECT    7    8   19                                                       
CONECT    8    7   13                                                       
CONECT    9   10   14                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12    3                                                  
CONECT   12   11   15                                                       
CONECT   13   14   18    8    4                                             
CONECT   14   13   15    9    2                                             
CONECT   15   14   16   12                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   13   17    5   20                                             
CONECT   19   20   23    7    1                                             
CONECT   20   19   21    6   18                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   24   33   19   22                                             
CONECT   24   23   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   27                                                            
CONECT   32   24                                                            
CONECT   33   23                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0002869
HETATM    1  C1  UNL     1       5.732   1.965  -0.747  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.451   1.292   0.377  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.961   1.453   0.224  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.127  -0.149   0.577  1.00  0.00           C  
HETATM    5  C5  UNL     1       6.434  -0.995  -0.637  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.783  -0.456   1.132  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.623   0.010   0.324  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.331  -0.415   1.067  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.427   0.295   2.399  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.222   0.044   0.188  1.00  0.00           C  
HETATM   11  C11 UNL     1       1.458  -0.667  -1.169  1.00  0.00           C  
HETATM   12  C12 UNL     1       0.087  -0.965  -1.733  1.00  0.00           C  
HETATM   13  C13 UNL     1      -0.810  -0.261  -0.794  1.00  0.00           C  
HETATM   14  C14 UNL     1      -2.239  -0.701  -0.790  1.00  0.00           C  
HETATM   15  C15 UNL     1      -2.841  -0.749  -2.150  1.00  0.00           C  
HETATM   16  C16 UNL     1      -4.302  -0.979  -2.023  1.00  0.00           C  
HETATM   17  C17 UNL     1      -5.009  -0.544  -1.017  1.00  0.00           C  
HETATM   18  C18 UNL     1      -6.463  -0.816  -0.969  1.00  0.00           C  
HETATM   19  C19 UNL     1      -7.147   0.532  -0.906  1.00  0.00           C  
HETATM   20  O1  UNL     1      -8.448   0.291  -0.431  1.00  0.00           O  
HETATM   21  C20 UNL     1      -6.510   1.523  -0.007  1.00  0.00           C  
HETATM   22  C21 UNL     1      -5.020   1.640  -0.088  1.00  0.00           C  
HETATM   23  C22 UNL     1      -4.412   0.222   0.084  1.00  0.00           C  
HETATM   24  C23 UNL     1      -4.957  -0.232   1.437  1.00  0.00           C  
HETATM   25  C24 UNL     1      -2.940   0.281   0.124  1.00  0.00           C  
HETATM   26  C25 UNL     1      -2.386   0.020   1.505  1.00  0.00           C  
HETATM   27  C26 UNL     1      -0.890   0.228   1.584  1.00  0.00           C  
HETATM   28  C27 UNL     1      -0.149  -0.495   0.530  1.00  0.00           C  
HETATM   29  C28 UNL     1       0.001  -1.963   0.856  1.00  0.00           C  
HETATM   30  H1  UNL     1       5.183   1.293  -1.426  1.00  0.00           H  
HETATM   31  H2  UNL     1       6.505   2.455  -1.414  1.00  0.00           H  
HETATM   32  H3  UNL     1       5.088   2.817  -0.430  1.00  0.00           H  
HETATM   33  H4  UNL     1       6.203   1.869   1.305  1.00  0.00           H  
HETATM   34  H5  UNL     1       8.243   1.605  -0.846  1.00  0.00           H  
HETATM   35  H6  UNL     1       8.472   0.537   0.609  1.00  0.00           H  
HETATM   36  H7  UNL     1       8.344   2.333   0.770  1.00  0.00           H  
HETATM   37  H8  UNL     1       6.869  -0.521   1.361  1.00  0.00           H  
HETATM   38  H9  UNL     1       5.647  -0.864  -1.389  1.00  0.00           H  
HETATM   39  H10 UNL     1       7.456  -0.840  -0.994  1.00  0.00           H  
HETATM   40  H11 UNL     1       6.383  -2.065  -0.282  1.00  0.00           H  
HETATM   41  H12 UNL     1       4.688  -0.013   2.163  1.00  0.00           H  
HETATM   42  H13 UNL     1       4.695  -1.573   1.198  1.00  0.00           H  
HETATM   43  H14 UNL     1       3.605  -0.350  -0.705  1.00  0.00           H  
HETATM   44  H15 UNL     1       3.607   1.132   0.355  1.00  0.00           H  
HETATM   45  H16 UNL     1       2.387  -1.508   1.143  1.00  0.00           H  
HETATM   46  H17 UNL     1       3.110   1.200   2.336  1.00  0.00           H  
HETATM   47  H18 UNL     1       2.882  -0.347   3.183  1.00  0.00           H  
HETATM   48  H19 UNL     1       1.467   0.729   2.736  1.00  0.00           H  
HETATM   49  H20 UNL     1       1.200   1.126   0.091  1.00  0.00           H  
HETATM   50  H21 UNL     1       2.014  -1.595  -1.052  1.00  0.00           H  
HETATM   51  H22 UNL     1       1.940   0.066  -1.847  1.00  0.00           H  
HETATM   52  H23 UNL     1      -0.007  -0.577  -2.785  1.00  0.00           H  
HETATM   53  H24 UNL     1      -0.107  -2.054  -1.811  1.00  0.00           H  
HETATM   54  H25 UNL     1      -0.779   0.823  -1.003  1.00  0.00           H  
HETATM   55  H26 UNL     1      -2.371  -1.707  -0.324  1.00  0.00           H  
HETATM   56  H27 UNL     1      -2.607   0.138  -2.774  1.00  0.00           H  
HETATM   57  H28 UNL     1      -2.366  -1.624  -2.684  1.00  0.00           H  
HETATM   58  H29 UNL     1      -4.760  -1.556  -2.856  1.00  0.00           H  
HETATM   59  H30 UNL     1      -6.770  -1.501  -0.158  1.00  0.00           H  
HETATM   60  H31 UNL     1      -6.781  -1.310  -1.911  1.00  0.00           H  
HETATM   61  H32 UNL     1      -7.272   0.890  -1.949  1.00  0.00           H  
HETATM   62  H33 UNL     1      -8.656  -0.657  -0.350  1.00  0.00           H  
HETATM   63  H34 UNL     1      -6.885   1.426   1.053  1.00  0.00           H  
HETATM   64  H35 UNL     1      -6.911   2.535  -0.316  1.00  0.00           H  
HETATM   65  H36 UNL     1      -4.678   2.274   0.739  1.00  0.00           H  
HETATM   66  H37 UNL     1      -4.723   2.086  -1.035  1.00  0.00           H  
HETATM   67  H38 UNL     1      -6.057  -0.400   1.386  1.00  0.00           H  
HETATM   68  H39 UNL     1      -4.531  -1.188   1.763  1.00  0.00           H  
HETATM   69  H40 UNL     1      -4.831   0.618   2.127  1.00  0.00           H  
HETATM   70  H41 UNL     1      -2.592   1.312  -0.184  1.00  0.00           H  
HETATM   71  H42 UNL     1      -2.828   0.610   2.304  1.00  0.00           H  
HETATM   72  H43 UNL     1      -2.528  -1.082   1.709  1.00  0.00           H  
HETATM   73  H44 UNL     1      -0.618   1.283   1.699  1.00  0.00           H  
HETATM   74  H45 UNL     1      -0.608  -0.275   2.568  1.00  0.00           H  
HETATM   75  H46 UNL     1       0.537  -2.018   1.828  1.00  0.00           H  
HETATM   76  H47 UNL     1      -0.982  -2.454   1.030  1.00  0.00           H  
HETATM   77  H48 UNL     1       0.606  -2.487   0.114  1.00  0.00           H  
CONECT    1    2   30   31   32
CONECT    2    3    4   33
CONECT    3   34   35   36
CONECT    4    5    6   37
CONECT    5   38   39   40
CONECT    6    7   41   42
CONECT    7    8   43   44
CONECT    8    9   10   45
CONECT    9   46   47   48
CONECT   10   11   28   49
CONECT   11   12   50   51
CONECT   12   13   52   53
CONECT   13   14   28   54
CONECT   14   15   25   55
CONECT   15   16   56   57
CONECT   16   17   17   58
CONECT   17   18   23
CONECT   18   19   59   60
CONECT   19   20   21   61
CONECT   20   62
CONECT   21   22   63   64
CONECT   22   23   65   66
CONECT   23   24   25
CONECT   24   67   68   69
CONECT   25   26   70
CONECT   26   27   71   72
CONECT   27   28   73   74
CONECT   28   29
CONECT   29   75   76   77
END

HMDB0002869
     RDKit          3D
Campesterol
 77 80  0  0  0  0  0  0  0  0999 V2000
    5.7322    1.9647   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4514    1.2922    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9615    1.4529    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271   -0.1488    0.5772 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4338   -0.9952   -0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7835   -0.4561    1.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    0.0101    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308   -0.4148    1.0675 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4270    0.2953    2.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    0.0444    0.1880 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4583   -0.6675   -1.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871   -0.9649   -1.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -0.2613   -0.7943 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2392   -0.7014   -0.7896 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8409   -0.7492   -2.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3016   -0.9789   -2.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0085   -0.5440   -1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4634   -0.8164   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1465    0.5320   -0.9059 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4481    0.2911   -0.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5098    1.5229   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0201    1.6399   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4116    0.2220    0.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9569   -0.2318    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404    0.2808    0.1241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3865    0.0203    1.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898    0.2276    1.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492   -0.4952    0.5303 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0012   -1.9628    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1830    1.2932   -1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5051    2.4547   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0881    2.8173   -0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030    1.8689    1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2433    1.6050   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    0.5370    0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3436    2.3329    0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8694   -0.5207    1.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6471   -0.8636   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4560   -0.8403   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825   -2.0655   -0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -0.0132    2.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -1.5728    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048   -0.3495   -0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    1.1322    0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3872   -1.5083    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104    1.2005    2.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8816   -0.3470    3.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4666    0.7287    2.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001    1.1259    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -1.5954   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404    0.0657   -1.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -0.5770   -2.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -2.0537   -1.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786    0.8234   -1.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711   -1.7065   -0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.1376   -2.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656   -1.6239   -2.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7604   -1.5557   -2.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7701   -1.5006   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7811   -1.3100   -1.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2718    0.8902   -1.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6564   -0.6573   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8854    1.4256    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9109    2.5352   -0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6778    2.2743    0.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7229    2.0864   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0566   -0.4002    1.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5312   -1.1877    1.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8307    0.6177    2.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918    1.3121   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8280    0.6095    2.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284   -1.0820    1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182    1.2826    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6079   -0.2746    2.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -2.0184    1.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -2.4538    1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -2.4868    0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  1
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  3 34  1  0
  3 35  1  0
  3 36  1  0
  4 37  1  1
  5 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  7 43  1  0
  7 44  1  0
  8 45  1  1
  9 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  6
 11 50  1  0
 11 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  6
 14 55  1  1
 15 56  1  0
 15 57  1  0
 16 58  1  0
 18 59  1  0
 18 60  1  0
 19 61  1  6
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 24 67  1  0
 24 68  1  0
 24 69  1  0
 25 70  1  6
 26 71  1  0
 26 72  1  0
 27 73  1  0
 27 74  1  0
 29 75  1  0
 29 76  1  0
 29 77  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(24R)Ergost-5-en-3beta-ol	ChEBI
(24R)Ergost-5-en-3b-ol	Generator
(24R)Ergost-5-en-3β-ol	Generator
22,23-Dihydrobrassicasterol	HMDB
Campesterol, (3beta)-isomer	HMDB
Ergost-5-en-3 beta- ol, 24 epimer	HMDB
24 alpha-Methylcholest-5-en-3 beta-ol	HMDB
24-Methylcholesterol	HMDB
Campesterol, (3beta,24xi)-isomer	HMDB
(24R)-24-Methylcholest-5-en-3beta-ol	HMDB
(24R)-24-Methylcholest-5-en-3β-ol	HMDB
(24R)-5-Ergosten-3beta-ol	HMDB
(24R)-5-Ergosten-3β-ol	HMDB
(24R)-Methylcholest-5-en-3beta-ol	HMDB
(24R)-Methylcholest-5-en-3β-ol	HMDB
(3beta,24R)-Ergost-5-en-3-ol	HMDB
(3Β,24R)-ergost-5-en-3-ol	HMDB
24(R)-Methylcholesterol	HMDB
24alpha-Methyl-5-cholesten-3beta-ol	HMDB
24alpha-Methylcholesterol	HMDB
24Α-methyl-5-cholesten-3β-ol	HMDB
24Α-methylcholesterol	HMDB
Campasterol	HMDB
Campesterin	HMDB
delta5-24-Isoergosten-3beta-ol	HMDB
Δ5-24-isoergosten-3β-ol	HMDB
(24R)-Ergost-5-en-3beta-ol	HMDB
(24R)-Ergost-5-en-3β-ol	HMDB
Campesterol	HMDB

Chemical Formula

C₂₈H₄₈O

Average Molecular Weight

400.691

Monoisotopic Molecular Weight

400.370516166

IUPAC Name

(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

Traditional Name

(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

CAS Registry Number

474-62-4

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C

InChI Identifier

InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

InChI Key

SGNBVLSWZMBQTH-PODYLUTMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Ergostane steroids

Direct Parent

Ergosterols and derivatives

Alternative Parents

Substituents

Ergosterol-skeleton
3-beta-hydroxysteroid
3-beta-hydroxy-delta-5-steroid
Hydroxysteroid
3-hydroxysteroid
3-hydroxy-delta-5-steroid
Delta-5-steroid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3beta-sterol (CHEBI:28623 )
phytosterols (CHEBI:28623 )
ergostane (C01789 )
Ergosterols and C24-methyl derivatives (C01789 )
Campestane and derivatives (C01789 )
Ergosterols and C24-methyl derivatives (LMST01030097 )

Ontology

Not Available

Kidney (HMDB: HMDB0002869)

Tissue

Muscle tissue

Skeletal Muscle (HMDB: HMDB0002869)

Biofluid or Excreta

Non-excretory biofluid

Blood (PMID: 7595097)

Excreta

Urine (PMID: 17613052)
Feces (PMID: 27275383)

Cellular substructure

Membrane (HMDB: HMDB0002869)
Extracellular (HMDB: HMDB0002869)

Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
New Zealand spinach (FooDB: FOOD00415)
Lambsquarters (FooDB: FOOD00394)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)
Lettuce (FooDB: FOOD00095)
Iceberg lettuce (FooDB: FOOD00973)
Yau choy (FooDB: FOOD00976)
Pea shoots (FooDB: FOOD00975)
Water spinach (FooDB: FOOD00977)

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Mushroom

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)
Heart of palm (FooDB: FOOD00718)

Fruit vegetable

Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)
Avocado (FooDB: FOOD00130)
Eggplant (FooDB: FOOD00174)
Groundcherry (FooDB: FOOD00371)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Stalk vegetable

Shoot vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Nut

Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Beech nut (FooDB: FOOD00299)
Acorn (FooDB: FOOD00282)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
Mixed nuts (FooDB: FOOD00771)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)
Brazil nut (FooDB: FOOD00024)
Almond (FooDB: FOOD00148)

Herbs and Spices (FooDB: FOOD00866)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Fruit

Tropical fruit

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)
Apricot (FooDB: FOOD00144)

Pome

Berry

Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Black raspberry (FooDB: FOOD00163)
Cloudberry (FooDB: FOOD00161)
Rowanberry (FooDB: FOOD00176)
Sparkleberry (FooDB: FOOD00190)
Lowbush blueberry (FooDB: FOOD00189)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Nanking cherry (FooDB: FOOD00885)
Saskatoon berry (FooDB: FOOD00884)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Bilberry (FooDB: FOOD00193)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Black plum (FooDB: FOOD00966)
Red grape (FooDB: FOOD00965)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Goji (FooDB: FOOD00982)
Wampee (FooDB: FOOD00980)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Fruits (FooDB: FOOD00871)

Cocoa and cocoa product

Cocoa product

Chocolate (FooDB: FOOD00687)
Hot chocolate (FooDB: FOOD00688)

Cocoa

Cocoa bean (FooDB: FOOD00182)

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Fruit juice (FooDB: FOOD00763)

Pulse

Lentil

Lentils (FooDB: FOOD00098)

Pea

Bean

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)
Green lentil (FooDB: FOOD00970)

Fat and oil

Vegetable fat

Margarine (FooDB: FOOD00843)
Shortening (FooDB: FOOD00783)
Margarine-like spread (FooDB: FOOD00844)

Fats and oils (FooDB: FOOD00864)

Baking good

Dressing

Salad dressing (FooDB: FOOD00645)

Cooking oil (FooDB: FOOD00779)

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)
Cow milk, pasteurized, vitamin A + D added, 1% fat (FooDB: FOOD00890)
Cow milk, pasteurized, vitamin A + D added, 2% fat (FooDB: FOOD00891)

Other milk product

Butter (FooDB: FOOD00648)
Salted butter (FooDB: FOOD00939)

Confectionery

Candy

Other candy (FooDB: FOOD00679)

Milk dessert

Sweet custard (FooDB: FOOD00716)

Dessert

Pudding (FooDB: FOOD00734)

Other confectionery

Icing (FooDB: FOOD00700)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)
Hibiscus tea (FooDB: FOOD00723)

Soy

Soy product

Soy bean (FooDB: FOOD00085)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Baby food

Baby food (FooDB: FOOD00668)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Steroid Biosynthesis (PathBank: SMP0121236)

Role

Indirect biological role

antioxidant (HMDB: HMDB0002869)

Biological role

Antioxidant (HMDB: HMDB0002869)
hypocholesterolemic (HMDB: HMDB0002869)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	157.5 °C	Not Available
Boiling Point	489.00 to 490.00 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	0.00015 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	9.972 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.2e-05 g/L	ALOGPS
logP	6.81	ALOGPS
logP	7.4	ChemAxon
logS	-7.3	ALOGPS
pKa (Strongest Acidic)	18.2	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	125.17 m³·mol⁻¹	ChemAxon
Polarizability	52.31 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	198.229	31661259
DarkChem	[M-H]-	192.568	31661259
DeepCCS	[M-2H]-	239.242	30932474
DeepCCS	[M+Na]+	213.557	30932474
AllCCS	[M+H]+	206.8	32859911
AllCCS	[M+H-H2O]+	204.7	32859911
AllCCS	[M+NH4]+	208.7	32859911
AllCCS	[M+Na]+	209.2	32859911
AllCCS	[M-H]-	204.7	32859911
AllCCS	[M+Na-2H]-	206.7	32859911
AllCCS	[M+HCOO]-	209.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Campesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C	2439.1	Standard polar	33892256
Campesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C	3229.2	Standard non polar	33892256
Campesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C	3294.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Campesterol,1TMS,isomer #1	CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	3270.6	Semi standard non polar	33892256
Campesterol,1TBDMS,isomer #1	CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	3494.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Campesterol GC-MS (1 TMS)	splash10-05e9-4911000000-875cf823819e0cce5862	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Campesterol GC-MS (Non-derivatized) - 70eV, Positive	splash10-00du-2009000000-2550db029fd542f67e17	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Campesterol GC-MS (1 TMS) - 70eV, Positive	splash10-0a4l-3003900000-507d30a41b66acb01111	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Campesterol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 10V, Positive-QTOF	splash10-0ue9-1019500000-847aedbaa12e54dfba2c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 20V, Positive-QTOF	splash10-001a-7039100000-37d6bffa6947a8543503	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 40V, Positive-QTOF	splash10-000i-9086000000-ab8fc0d2e66c929b57d5	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 10V, Negative-QTOF	splash10-0002-0009000000-262b69e7e0c3c62469f1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 20V, Negative-QTOF	splash10-0002-0009000000-c1bc60a76f16fac8a564	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 40V, Negative-QTOF	splash10-00lr-2019000000-048057355ee14dde6999	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 10V, Positive-QTOF	splash10-0udi-1013900000-5ff92eefb7be32e490d2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 20V, Positive-QTOF	splash10-0a4i-9262100000-1079a45f5eba7c1c6da9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 40V, Positive-QTOF	splash10-0a5c-9720000000-f4480815d1819a6ecee3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 10V, Negative-QTOF	splash10-0002-0009000000-e5e9af9914ac05de1a5c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 20V, Negative-QTOF	splash10-0002-0009000000-f02c317cf088701c56eb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Campesterol 40V, Negative-QTOF	splash10-0002-0009000000-ad5cb5a0f29f4da7cb16	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane (predicted from logP)

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Kidney
Skeletal Muscle

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	7.462 +/- 7.487 uM	Adult (>18 years old)	Female	Normal	11432711	details
Blood	Detected and Quantified	17.23 (0.24-87.0) uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ... West Cadwell, N.J... Basel, Switzerlan...	details
Blood	Detected and Quantified	6.46 +/- 0.051 uM	Adult (>18 years old)	Both	Normal	20671299	details
Blood	Detected and Quantified	1.35 +/- 0.014 uM	Adult (>18 years old)	Both	Normal	20671299	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Urine	Detected and Quantified	0.00013 +/- 0.000049 umol/mmol creatinine	Adult (>18 years old)	Female	Normal	17613052	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	601.94 +/- 6.49 uM	Adult (>18 years old)	Both	Phytosterolemia	7595097	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27015276	details

Associated Disorders and Diseases

Disease References

Sitosterolemia
Lutjohann D, Bjorkhem I, Beil UF, von Bergmann K: Sterol absorption and sterol balance in phytosterolemia evaluated by deuterium-labeled sterols: effect of sitostanol treatment. J Lipid Res. 1995 Aug;36(8):1763-73. [PubMed:7595097 ]
Colorectal cancer
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ] Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ] Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

210250 (Sitosterolemia)
114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Campesterol

METLIN ID

Not Available

PubChem Compound

173183

PDB ID

Not Available

ChEBI ID

28623

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1227111

References

Synthesis Reference

Zhou, Yu-jie; Dai, Ling-mei; Chen, Fu-ming; Li, Zong-cheng. Separation of b-sitosterol and campesterol by high-speed countercurrent chromatography. Jingxi Huagong (2002), 19(3), 183-185.

Material Safety Data Sheet (MSDS)

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General References

Miettinen TE, Kesaniemi YA, Gylling H, Jarvinen H, Silvennoinen E, Miettinen TA: Noncholesterol sterols in bile and stones of patients with cholesterol and pigment stones. Hepatology. 1996 Feb;23(2):274-80. [PubMed:8591852 ]
Phillips KM, Ruggio DM, Bailey JA: Precise quantitative determination of phytosterols, stanols, and cholesterol metabolites in human serum by capillary gas-liquid chromatography. J Chromatogr B Biomed Sci Appl. 1999 Sep 10;732(1):17-29. [PubMed:10517218 ]
Siirtola A, Ketomaki A, Miettinen TA, Gylling H, Lehtimaki T, Holmberg C, Salo MK, Antikainen M: Cholesterol absorption and synthesis in pediatric kidney, liver, and heart transplant recipients. Transplantation. 2006 Feb 15;81(3):327-34. [PubMed:16477216 ]
Paiva H, Thelen KM, Van Coster R, Smet J, De Paepe B, Mattila KM, Laakso J, Lehtimaki T, von Bergmann K, Lutjohann D, Laaksonen R: High-dose statins and skeletal muscle metabolism in humans: a randomized, controlled trial. Clin Pharmacol Ther. 2005 Jul;78(1):60-8. [PubMed:16003294 ]
Dayal B, Tint GS, Batta AK, Speck J, Khachadurian AK, Shefer S, Salen G: Identification of 5 alpha-stanols in patients with sitosterolemia and xanthomatosis: stereochemistry of the protonolysis of steroidal organoboranes. Steroids. 1982 Aug;40(2):233-43. [PubMed:6297129 ]
Kuriyama M, Fujiyama J, Kasama T, Osame M: High levels of plant sterols and cholesterol precursors in cerebrotendinous xanthomatosis. J Lipid Res. 1991 Feb;32(2):223-9. [PubMed:2066659 ]
Locker PK, Jungbluth GL, Francom SF, Hughes GS Jr: Lifibrol: a novel lipid-lowering drug for the therapy of hypercholesterolemia. Lifibrol Study Group. Clin Pharmacol Ther. 1995 Jan;57(1):73-88. [PubMed:7828385 ]

Enzymes

Enzyme Details

1. Delta(24)-sterol reductase

General function:: Energy production and conversion
Specific function:: Catalyzes the reduction of the delta-24 double bond of sterol intermediates. Protects cells from oxidative stress by reducing caspase 3 activity during apoptosis induced by oxidative stress. Also protects against amyloid-beta peptide-induced apoptosis.
Gene Name:: DHCR24
Uniprot ID:: Q15392
Molecular weight:: 60100.805

Reactions

24-Methylenecholesterol + NADPH + Hydrogen Ion → Campesterol + NADP	details

Enzyme Details

2. 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2

General function:: Involved in 3-beta-hydroxy-delta5-steroid dehydrogenase activity
Specific function:: 3-beta-HSD is a bifunctional enzyme, that catalyzes the oxidative conversion of Delta(5)-ene-3-beta-hydroxy steroid, and the oxidative conversion of ketosteroids. The 3-beta-HSD enzymatic system plays a crucial role in the biosynthesis of all classes of hormonal steroids.
Gene Name:: HSD3B2
Uniprot ID:: P26439
Molecular weight:: 42051.845

Showing metabocard for Campesterol (HMDB0002869)

MOL for HMDB0002869 (Campesterol)

3D MOL for HMDB0002869 (Campesterol)

3D SDF for HMDB0002869 (Campesterol)

3D-SDF for HMDB0002869 (Campesterol)

PDB for HMDB0002869 (Campesterol)

3D PDB for HMDB0002869 (Campesterol)

SMILES for HMDB0002869 (Campesterol)

INCHI for HMDB0002869 (Campesterol)

Structure for HMDB0002869 (Campesterol)

3D Structure for HMDB0002869 (Campesterol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions