CHEBI:48736 - 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid
ChEBI ID CHEBI:48736
ChEBI ASCII Name 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O5
Net Charge 0
Average Mass 450.65114
Monoisotopic Mass 450.33452
InChI InChI=1S/C27H46O5/c1-15(5-8-22(29)16(2)25(31)32)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(28)13-17(26)14-23(24)30/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22?,23-,24+,26+,27-/m1/s1
InChIKey MCVJTZAENNGXTM-OYCVBOJLSA-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(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) has role bile acid metabolite (CHEBI:48887)
3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a 24-hydroxy steroid (CHEBI:36865)
3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a 3α-hydroxy steroid (CHEBI:36835)
3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a 7α-hydroxy steroid (CHEBI:36843)
3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a hydroxy monocarboxylic acid (CHEBI:35868)
Incoming 3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA (CHEBI:27403) has functional parent 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736)
IUPAC Name
3α,7α,24-trihydroxy-5β-cholestan-26-oic acid
Synonym Source
3α,7α,24-trihydroxy-5β-cholestanoic acid ChEBI
Manual Xref Database
LMST04030062 LIPID MAPS
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Last Modified
06 May 2009