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CHEBI:63848 - (24S)-3α,7α,24-trihydroxy-5β-cholestan-26-al

ChEBI IDCHEBI:63848
ChEBI Name(24S)-3α,7α,24-trihydroxy-5β-cholestan-26-al
Stars
ASCII Name(24S)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
Definition3α,7α,24-trihydroxy-5β-cholestan-26-al with S-configuration at C-24.
Last Modified7 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
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)C=O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O4/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/h15-25,29-31H,5-14H2,1-4H3/t16-,17?,18+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyGDUNLMLXJUYQIN-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)-3α,7α,24-trihydroxy-5β-cholestan-26-al (CHEBI:63848) is a 3α,7α,24-trihydroxy-5β-cholestan-26-al (CHEBI:48734)
Synonym  Source
3α,7α,24(S)-trihydroxy-5β-cholestan-27-alChEBI