CHEBI:48467 - (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid
ChEBI ID CHEBI:48467
ChEBI ASCII Name (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O4
Net Charge 0
Average Mass 434.65174
Monoisotopic Mass 434.33961
InChI InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17-,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKey ITZYGDKGRKKBSN-RXDNHGQQSA-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[C@@H](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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467) is a 3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467) is conjugate acid of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750)
Incoming (25R)-3α,7α-dihydroxy-5β-cholestan-26-oyl taurine (CHEBI:136361) has functional parent (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oyl-CoA (CHEBI:48474) has functional parent (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750) is conjugate base of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467)
IUPAC Name
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid
Registry Number Type Source
5384169 Beilstein Registry Number Beilstein
Last Modified
18 January 2018