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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (24S)-5β-cholestane-3α,7α,12α,24,26-pentol
ChEBI ID CHEBI:63835
ChEBI ASCII Name (24S)-5beta-cholestane-3alpha,7alpha,12alpha,24,26-pentol
Definition 5β-Cholestane-3α,7α,12α,24,26-pentol with S-configuration at C-24.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H48O5
Net Charge 0
Average Mass 452.66700
Monoisotopic Mass 452.35017
InChI InChI=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
InChIKey CPKBPCHJXMSTOE-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)CO
Roles Classification
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
(via 5beta-cholestane-3alpha,7alpha,12alpha,24,26-pentol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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-pentol ChEBI
Last Modified
06 February 2012