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CHEBI:63833 - (24S)-5β-cholestane-3α,7α,24,26-tetrol

ChEBI IDCHEBI:63833
ChEBI Name(24S)-5β-cholestane-3α,7α,24,26-tetrol
Stars
ASCII Name(24S)-5beta-cholestane-3alpha,7alpha,24,26-tetrol
Definition5β-Cholestane-3α,7α,24,26-tetrol with S-configuration at C-24.
Last Modified6 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
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)CC[C@H](O)C(C)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h16-25,28-31H,5-15H2,1-4H3/t16-,17?,18+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyKOHAQNVGTABZFS-MNABXBHASA-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)
(24S)-5β-cholestane-3α,7α,24,26-tetrol (CHEBI:63833) is a 5β-cholestane-3α,7α,24,26-tetrol (CHEBI:48731)
IUPAC Name 
(24S)-5β-cholestane-3α,7α,24,26-tetrol
Synonym  Source
5β-cholestan-3α,7α,24(S),27-tetrolChEBI