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

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ChEBI Name (24S)-3α,7α,24-trihydroxy-5β-cholestan-26-al
ChEBI ID CHEBI:63848
ChEBI ASCII Name (24S)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
Definition 3α,7α,24-trihydroxy-5β-cholestan-26-al with S-configuration at C-24.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H46O4
Net Charge 0
Average Mass 434.65170
Monoisotopic Mass 434.33961
InChI InChI=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
InChIKey GDUNLMLXJUYQIN-MNABXBHASA-N
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@]1([H])[C@H](O)C2)[C@H](C)CC[C@H](O)C(C)C=O
Roles Classification
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
(via 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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-al ChEBI
Last Modified
07 February 2012