CHEBI:63820 - (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid

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ChEBI Name (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid
ChEBI ID CHEBI:63820
ChEBI ASCII Name (24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
Definition 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid with S configuration at C-24.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O6
Net Charge 0
Average Mass 466.65050
Monoisotopic Mass 466.32944
InChI InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18-,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey FAYYTQMQTAKHRM-ASDSSCPRSA-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)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.
(via 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:63820) is a 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742)
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:63820) is conjugate acid of (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oate (CHEBI:63824)
Incoming (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oate (CHEBI:63824) is conjugate base of (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:63820)
IUPAC Name
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid
Synonym Source
tetraHCA ChEBI
Last Modified
06 February 2012