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CHEBI:193288 - 3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-en-24-oic Acid

ChEBI IDCHEBI:193288
ChEBI Name3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)C1=CC2=O
InChIInChI=1S/C24H36O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h11,13-14,16-19,21,25,27H,4-10,12H2,1-3H3,(H,28,29)/t13-,14-,16-,17+,18+,19+,21+,23-,24-/m1/s1
InChIKeyGDUPOKRLCLDOHZ-XWMSBXEFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-en-24-oic Acid (CHEBI:193288) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3R,5R,9R,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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