CHEBI:87783 - (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid

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ChEBI Name (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid ChEBI ID CHEBI:87783 ChEBI ASCII Name (25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid Definition A cholestanoid resulting from the oxidation of (25R)-3β,26-dihydroxycholest-5-en-7-one to the corresponding carboxylic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H42O4 Net Charge 0 Average Mass 430.621 Monoisotopic Mass 430.30831 InChI InChI=1S/C27H42O4/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/h15-17,19-22,24,28H,5-14H2,1-4H3,(H,30,31)/t16-,17-,19+,20-,21+,22+,24+,26+,27-/m1/s1 InChIKey QOEPZHFZXUROGV-BXDHRDAUSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C=C2C[C@H](C1)O)=O)[H])(CC[C@@]4([C@H](C)CCC[C@@H](C)C(O)=O)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed 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 xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) has functional parent cholesterol (CHEBI:16113) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) has role human xenobiotic metabolite (CHEBI:76967) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a 3β-sterol (CHEBI:35348) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a 7-oxo steroid (CHEBI:47789) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a cholestanoid (CHEBI:50401) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a monocarboxylic acid (CHEBI:25384) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a oxysterol (CHEBI:53030) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a steroid acid (CHEBI:47891) (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is conjugate acid of (25R)-3β-hydroxycholest-5-en-7-one-26-oate (CHEBI:87678) Incoming (25R)-3β-hydroxycholest-5-en-7-one-26-oate (CHEBI:87678) is conjugate base of (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) IUPAC Name (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid Synonym Source (3β,25R)-3-hydroxy-7-oxocholest-5-en-26-oic acid IUPAC Registry Number Type Source 22179398 Reaxys Registry Number Reaxys Citation Type Source 21411718 PubMed citation Europe PMC Last Modified 25 April 2017