EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:171890 - Epi-coprostanol

ChEBI IDCHEBI:171890
ChEBI NameEpi-coprostanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O
Net Charge0
Average Mass388.680
Monoisotopic Mass388.37052
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyQYIXCDOBOSTCEI-KKFSNPNRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Epi-coprostanol (CHEBI:171890) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
82590ChemSpider
LMST04030110LIPID MAPS
Registry NumbersSources
CAS:516-92-7ChemIDplus