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CHEBI:193197 - 11beta,12beta-Dihydroxy-5beta-cholan-24-oic Acid

ChEBI IDCHEBI:193197
ChEBI Name11beta,12beta-Dihydroxy-5beta-cholan-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])[C@@H](O)[C@@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])CC2
InChIInChI=1S/C24H40O4/c1-14(7-12-19(25)26)17-10-11-18-16-9-8-15-6-4-5-13-23(15,2)20(16)21(27)22(28)24(17,18)3/h14-18,20-22,27-28H,4-13H2,1-3H3,(H,25,26)/t14-,15+,16+,17-,18+,20-,21-,22-,23+,24-/m1/s1
InChIKeyASBYOUYQSVMWJM-WLRTZTAHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
11beta,12beta-Dihydroxy-5beta-cholan-24-oic Acid (CHEBI:193197) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(5S,8S,9S,10S,11R,12S,13R,14S,17R)-11,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
4447218ChemSpider
LMST04010386LIPID MAPS