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CHEBI:185918 - cholest-7-en-3beta,5alpha,6alpha,9alpha-tetrol

ChEBI IDCHEBI:185918
ChEBI Namecholest-7-en-3beta,5alpha,6alpha,9alpha-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1(O)C2=C[C@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12C
InChIInChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h15,17-21,23,28-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,23+,24-,25-,26-,27+/m1/s1
InChIKeyGOMPWPOKPPQMCD-BCBAPGJRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
cholest-7-en-3beta,5alpha,6alpha,9alpha-tetrol (CHEBI:185918) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5R,6S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol
Manual XrefsDatabases
LMST01010262LIPID MAPS
10216922ChemSpider