CHEBI:48700 - 5β-cholestane-3α,7α,24-triol

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ChEBI Name 5β-cholestane-3α,7α,24-triol
ChEBI ID CHEBI:48700
ChEBI ASCII Name 5beta-cholestane-3alpha,7alpha,24-triol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H48O3
Net Charge 0
Average Mass 420.66822
Monoisotopic Mass 420.36035
InChI InChI=1S/C27H48O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1
InChIKey VDKSIHRRZLCAGD-RESWAWEDSA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)C(C)C
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,24-triol (CHEBI:48700) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,24-triol (CHEBI:48700) has role bile acid metabolite (CHEBI:48887)
5β-cholestane-3α,7α,24-triol (CHEBI:48700) is a 24-hydroxy steroid (CHEBI:36865)
5β-cholestane-3α,7α,24-triol (CHEBI:48700) is a 3α-hydroxy steroid (CHEBI:36835)
5β-cholestane-3α,7α,24-triol (CHEBI:48700) is a 7α-hydroxy steroid (CHEBI:36843)
Incoming (24S)-5β-cholestane-3α,7α,24-triol (CHEBI:63831) is a 5β-cholestane-3α,7α,24-triol (CHEBI:48700)
IUPAC Name
5β-cholestane-3α,7α,24-triol
Synonym Source
5β-cholestan-3α,7α,24-triol ChEBI
Manual Xref Database
LMST04030022 LIPID MAPS
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Last Modified
06 February 2012