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CHEBI:193301 - Dihomoursodeoxycholic acid

ChEBI IDCHEBI:193301
ChEBI NameDihomoursodeoxycholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O4
Net Charge0
Average Mass420.634
Monoisotopic Mass420.32396
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCCC(=O)O)[C@]1([H])[C@@H](O)C2
InChIInChI=1S/C26H44O4/c1-16(6-4-5-7-23(29)30)19-8-9-20-24-21(11-13-26(19,20)3)25(2)12-10-18(27)14-17(25)15-22(24)28/h16-22,24,27-28H,4-15H2,1-3H3,(H,29,30)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
InChIKeyISELACRIJKHUTE-LBSADWJPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Dihomoursodeoxycholic acid (CHEBI:193301) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name 
(6R)-6-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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
58113191ChemSpider
LMST04020033LIPID MAPS