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CHEBI:166735 - Isohyodeoxycholic acid

ChEBI IDCHEBI:166735
ChEBI NameIsohyodeoxycholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@@]12C[C@H](O)[C@]3([H])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/C24H40O4/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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKeyDGABKXLVXPYZII-MMTMODRTSA-N
ChEBI Ontology
Outgoing Relation(s)
Isohyodeoxycholic acid (CHEBI:166735) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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
4446910ChemSpider
HMDB0000664HMDB
LMST04010026LIPID MAPS