CHEBI:87678 - (25R)-3β-hydroxycholest-5-en-7-one-26-oate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (25R)-3β-hydroxycholest-5-en-7-one-26-oate ChEBI ID CHEBI:87678 ChEBI ASCII Name (25R)-3beta-hydroxycholest-5-en-7-one-26-oate Definition A steroid acid anion that is the conjugate base of (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 C27H41O4 Net Charge -1 Average Mass 429.613 Monoisotopic Mass 429.30103 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)/p-1/t16-,17-,19+,20-,21+,22+,24+,26+,27-/m1/s1 InChIKey QOEPZHFZXUROGV-BXDHRDAUSA-M 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 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-oate (CHEBI:87678) has role human xenobiotic metabolite (CHEBI:76967) (25R)-3β-hydroxycholest-5-en-7-one-26-oate (CHEBI:87678) is a steroid acid anion (CHEBI:50160) (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) Incoming (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) IUPAC Name (25R)-3β-hydroxycholest-5-en-7-one-26-oate Synonyms Sources (25R)-3β-hydroxycholest-5-en-7-one-26-oate UniProt (3β,25R)-3-hydroxy-7-oxocholest-5-en-26-oate IUPAC Citation Type Source 21411718 PubMed citation SUBMITTER Last Modified 04 September 2015