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CHEBI:193247 - (20S,22E)-3beta-Hydroxy-5alpha-chol-22-en-24-oic Acid

ChEBI IDCHEBI:193247
ChEBI Name(20S,22E)-3beta-Hydroxy-5alpha-chol-22-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O3
Net Charge0
Average Mass374.565
Monoisotopic Mass374.28210
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](C)/C=C/C(=O)O)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h4,9,15-21,25H,5-8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,16-,17-,18-,19+,20-,21-,23-,24+/m0/s1
InChIKeyRDDXJZKKQGXAHS-PMOKAGDPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(20S,22E)-3beta-Hydroxy-5alpha-chol-22-en-24-oic Acid (CHEBI:193247) is a 3β-hydroxy steroid (CHEBI:36836)
IUPAC Name 
(E,4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid
Manual XrefsDatabases
LMST04010324LIPID MAPS
4447159ChemSpider