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CHEBI:48825 - 7α,26-dihydroxycholest-4-en-3-one

ChEBI IDCHEBI:48825
ChEBI Name7α,26-dihydroxycholest-4-en-3-one
Stars
ASCII Name7alpha,26-dihydroxycholest-4-en-3-one
Last Modified4 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)CO)[C@]1([H])[C@H](O)CC1=CC(=O)CC[C@@]12C
InChIInChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyKVJVJJWIEXCECB-GWUAJDSISA-N
Roles Classification
Biological Role:
bile acid metabolite  Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
ChEBI Ontology
Outgoing Relation(s)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) has role bile acid metabolite (CHEBI:48887)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a 26-hydroxy steroid (CHEBI:36852)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a 7α-hydroxy steroid (CHEBI:36843)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a cholestanoid (CHEBI:50401)
IUPAC Name 
7α,26-dihydroxycholest-4-en-3-one
Synonym  Source
4-cholesten-7α,26-diol-3-oneChEBI
Manual XrefsDatabases
C17336KEGG COMPOUND
LMST04030157LIPID MAPS
HMDB0012459HMDB
Registry NumbersSources
Beilstein:6347657Beilstein
CAS:4675-38-1KEGG COMPOUND