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CHEBI:63835 - (24S)-5β-cholestane-3α,7α,12α,24,26-pentol

ChEBI IDCHEBI:63835
ChEBI Name(24S)-5β-cholestane-3α,7α,12α,24,26-pentol
Stars
ASCII Name(24S)-5beta-cholestane-3alpha,7alpha,12alpha,24,26-pentol
Definition5β-Cholestane-3α,7α,12α,24,26-pentol with S-configuration at C-24.
Last Modified6 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
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)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O5/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/h15-25,28-32H,5-14H2,1-4H3/t15-,16?,17+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyCPKBPCHJXMSTOE-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)-5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:63835) is a 5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732)
IUPAC Name 
(24S)-5β-cholestane-3α,7α,12α,24,26-pentol
Synonym  Source
5β-cholestan-3α,7α,12α,24(S),27-pentolChEBI