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CHEBI:48778 - 7α,26-dihydroxy-5β-cholestan-3-one

ChEBI IDCHEBI:48778
ChEBI Name7α,26-dihydroxy-5β-cholestan-3-one
Stars
ASCII Name7alpha,26-dihydroxy-5beta-cholestan-3-one
Last Modified26 April 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O3/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/h17-19,21-25,28,30H,5-16H2,1-4H3/t17?,18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyHXGWUGDCIVSGLK-QOXJXTBWSA-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-dihydroxy-5β-cholestan-3-one (CHEBI:48778) has parent hydride 5β-cholestane (CHEBI:35517)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) has role bile acid metabolite (CHEBI:48887)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) is a 26-hydroxy steroid (CHEBI:36852)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) is a 3-oxo-5β-steroid (CHEBI:1624)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name 
7α,26-dihydroxy-5β-cholestan-3-one
Synonyms  Source
5β-cholestan-7α,26-diol-3-oneChEBI
5β-cholestan-7α,27-diol-3-oneChEBI