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

ChEBI IDCHEBI:63849
ChEBI Name(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al
Stars
ASCII Name(24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al
Definition3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al with S-configuration at C-24.
Last Modified7 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H46O5
Net Charge0
Average Mass450.660
Monoisotopic Mass450.33452
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@H](C)CC[C@H](O)C(C)C=O)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyMZWYIFQIBJLCBI-CJKJGBPISA-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,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-alChEBI