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CHEBI:193335 - Dihomohyodeoxycholic acid

Default Structure
ChEBI IDCHEBI:193335
ChEBI NameDihomohyodeoxycholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O4
Net Charge0
Average Mass420.634
Monoisotopic Mass420.32396
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)CCCCC(=O)O
InChIInChI=1S/C26H44O4/c1-16(6-4-5-7-24(29)30)19-8-9-20-18-15-23(28)22-14-17(27)10-12-26(22,3)21(18)11-13-25(19,20)2/h16-23,27-28H,4-15H2,1-3H3,(H,29,30)/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1
InChIKeyVIVZSRXQGPIYIQ-BHYUGXBJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Dihomohyodeoxycholic acid (CHEBI:193335) is a 3α-hydroxy steroid (CHEBI:36835)
IUPAC Name 
(6R)-6-[(3R,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]heptanoic acid
Manual XrefsDatabases
113385491ChemSpider
LMST04020036LIPID MAPS