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CHEBI:175151 - 7b,12a-Dihydroxycholanoic acid

ChEBI IDCHEBI:175151
ChEBI Name7b,12a-Dihydroxycholanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@@]12CCCC[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)[C@]1([H])[C@@H](O)C2
InChIInChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1
InChIKeyZHCAAZIHTDCFJX-BJMHMCHXSA-N
ChEBI Ontology
Outgoing Relation(s)
7b,12a-Dihydroxycholanoic acid (CHEBI:175151) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(5S,7S,8R,9S,10S,12S,13R,14S,17R)-7,12-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
4446927ChemSpider
LMST04010051LIPID MAPS
HMDB0002451HMDB