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CHEBI:193543 - 3alpha,12alpha,15beta-Trihydroxy-5beta,-chol-8(14)-en-24-oic Acid

ChEBI IDCHEBI:193543
ChEBI Name3alpha,12alpha,15beta-Trihydroxy-5beta,-chol-8(14)-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILES[H][C@]12CCC3=C4[C@H](O)C[C@]([H])([C@H](C)CCC(=O)O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H38O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-15,17-20,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,17-,18+,19-,20+,23+,24+/m1/s1
InChIKeyRRRJFLXVNRAKLH-ZWUUCCFBSA-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,12alpha,15beta-Trihydroxy-5beta,-chol-8(14)-en-24-oic Acid (CHEBI:193543) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-3,12,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
LMST04010358LIPID MAPS
4447191ChemSpider