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CHEBI:173169 - 3beta,6beta-Dihydroxychol-4-en-24-oic Acid

ChEBI IDCHEBI:173169
ChEBI Name3beta,6beta-Dihydroxychol-4-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@@]12C[C@@H](O)C3=C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
InChIInChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14-19,21,25-26H,4-11,13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,21-,23-,24-/m1/s1
InChIKeyAJQRAPNIKHYNJX-APLJBLMKSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
3beta,6beta-Dihydroxychol-4-en-24-oic Acid (CHEBI:173169) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3S,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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