CHEBI:63849 - (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al

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ChEBI Name (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al
ChEBI ID CHEBI:63849
ChEBI ASCII Name (24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al
Definition 3α,7α,12α,24-tetrahydroxy-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 C27H46O5
Net Charge 0
Average Mass 450.65110
Monoisotopic Mass 450.33452
InChI InChI=1S/C27H46O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h14-25,29-32H,5-13H2,1-4H3/t15-,16?,17+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey MZWYIFQIBJLCBI-CJKJGBPISA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[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,12alpha,24-tetrahydroxy-5beta-cholestan-26-al )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al (CHEBI:63849) is a 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al (CHEBI:48735)
IUPAC Name
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al
Synonym Source
3α,7α,12α,24(S)-tetrahydroxy-5β-cholestan-27-al ChEBI
Last Modified
07 February 2012