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CHEBI:193467 - Dihomoavicholic acid

ChEBI IDCHEBI:193467
ChEBI NameDihomoavicholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O5
Net Charge0
Average Mass436.633
Monoisotopic Mass436.31887
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@]([H])([C@H](C)CCCCC(=O)O)[C@H](O)C[C@@]3([H])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C26H44O5/c1-15(6-4-5-7-22(30)31)24-21(29)14-19-23-18(9-11-26(19,24)3)25(2)10-8-17(27)12-16(25)13-20(23)28/h15-21,23-24,27-29H,4-14H2,1-3H3,(H,30,31)/t15-,16+,17-,18+,19+,20-,21-,23-,24+,25+,26+/m1/s1
InChIKeyUVPXQNAFSCJRMX-GQILHKQBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Dihomoavicholic acid (CHEBI:193467) is a prostanoid (CHEBI:26347)
IUPAC Name 
(6R)-6-[(3R,5S,7R,8R,9S,10S,13S,14S,16R,17R)-3,7,16-trihydroxy-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
LMST04020041LIPID MAPS
113385496ChemSpider