CHEBI:48732 - 5β-cholestane-3α,7α,12α,24,26-pentol

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ChEBI Name 5β-cholestane-3α,7α,12α,24,26-pentol
ChEBI ID CHEBI:48732
ChEBI ASCII Name 5beta-cholestane-3alpha,7alpha,12alpha,24,26-pentol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H48O5
Net Charge 0
Average Mass 452.66702
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-OYYINRPOSA-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)CCC(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.
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ChEBI Ontology
Outgoing 5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) has role bile acid metabolite (CHEBI:48887)
5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) is a 12α-hydroxy steroid (CHEBI:36846)
5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) is a 24-hydroxy steroid (CHEBI:36865)
5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) is a 26-hydroxy steroid (CHEBI:36852)
5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) is a 3α-hydroxy steroid (CHEBI:36835)
5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) is a 7α-hydroxy steroid (CHEBI:36843)
Incoming (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
5β-cholestane-3α,7α,12α,24,26-pentol
Synonym Source
5β-cholestan-3α,7α,12α,24,27-pentol ChEBI
Manual Xref Database
LMST04030018 LIPID MAPS
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Last Modified
06 February 2012