CHEBI:139254 - 9-cis-4-oxoretinoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 9-cis-4-oxoretinoate ChEBI ID CHEBI:139254 ChEBI ASCII Name 9-cis-4-oxoretinoate Definition A retinoid anion that is the conjugate base of 9-cis-4-oxoretinoic 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 C20H25O3 Net Charge -1 Average Mass 313.411 Monoisotopic Mass 313.18092 InChI InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7-,15-13+ InChIKey GGCUJPCCTQNTJF-NAXRMXIQSA-M SMILES C1C(C(=C(C(C1)=O)C)\C=C\C(=C/C=C/C(=C/C(=O)[O-])/C)\C)(C)C ChEBI Ontology Outgoing 9-cis-4-oxoretinoate (CHEBI:139254) is a oxo monocarboxylic acid anion (CHEBI:35902) 9-cis-4-oxoretinoate (CHEBI:139254) is a retinoid anion (CHEBI:139589) 9-cis-4-oxoretinoate (CHEBI:139254) is conjugate base of 9-cis-4-oxoretinoic acid (CHEBI:139255) Incoming 9-cis-4-oxoretinoic acid (CHEBI:139255) is conjugate acid of 9-cis-4-oxoretinoate (CHEBI:139254) IUPAC Name (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate Synonyms Sources (9cis)-4-oxoretinoate ChEBI 4-oxo-9-cis-retinoate(1−) SUBMITTER 9-cis-4-ketoretinoate ChEBI 9-cis-4-oxoretinoate UniProt Citation Type Source 14532297 PubMed citation SUBMITTER Last Modified 06 February 2018