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

ChEBI IDCHEBI:48467
ChEBI Name(25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid
Stars
ASCII Name(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Last Modified16 October 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
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@H](C)CCC[C@@H](C)C(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyITZYGDKGRKKBSN-RXDNHGQQSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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 NumbersSources
Beilstein:5384169Beilstein