CHEBI:86434 - (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid ChEBI ID CHEBI:86434 ChEBI ASCII Name (25R)-3beta,4beta-dihydroxycholest-5-en-26-oic acid Definition A steroid acid resulting from stereoselective oxidation of one of the terminal methyl groups of 4β-hydroxycholesterol 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 C27H44O4 Net Charge 0 Average Mass 432.63590 Monoisotopic Mass 432.32396 InChI InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)19-10-11-20-18-8-9-22-24(29)23(28)13-15-27(22,4)21(18)12-14-26(19,20)3/h9,16-21,23-24,28-29H,5-8,10-15H2,1-4H3,(H,30,31)/t16-,17-,18+,19-,20+,21+,23+,24-,26-,27-/m1/s1 InChIKey YKGKKDOYGJEANO-ZOQSZFPJSA-N SMILES C[C@H](CCC[C@@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 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,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) has role human xenobiotic metabolite (CHEBI:76967) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is a 3β-sterol (CHEBI:35348) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is a 4-hydroxy steroid (CHEBI:62846) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is a cholestanoid (CHEBI:50401) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is a monocarboxylic acid (CHEBI:25384) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is a oxysterol (CHEBI:53030) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is a steroid acid (CHEBI:47891) (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is conjugate acid of (25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−) (CHEBI:86116) Incoming (25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−) (CHEBI:86116) is conjugate base of (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) IUPAC Name (3β,4β,25R)-3,4-dihydroxycholest-5-en-26-oic acid Citation Type Source 12077124 PubMed citation Europe PMC Last Modified 25 April 2017