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CHEBI:193193 - 3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid

ChEBI IDCHEBI:193193
ChEBI Name3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O3
Net Charge0
Average Mass374.565
Monoisotopic Mass374.28210
SMILES[H][C@]12CC[C@@]3([H])C4=CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@]3([H])[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/h8,15-19,21,25H,4-7,9-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,21+,23+,24-/m1/s1
InChIKeyUQPIULZJRWFWKS-OJGYMRIJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid (CHEBI:193193) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(3R,5R,8R,9S,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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