CHEBI:140204 - (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid

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ChEBI Name (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid ChEBI ID CHEBI:140204 ChEBI ASCII Name (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid Definition An oxodocosahexaenoic acid that is (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid in which the oxo group is located at position 13. An intermediate of specialised proresolving mediators. Stars This entity has been manually annotated by the ChEBI Team. Submitter Bijay 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 C22H30O3 Net Charge 0 Average Mass 342.473 Monoisotopic Mass 342.21949 InChI InChI=1S/C22H30O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+ InChIKey JGZAOFOLFDPNTJ-SKSHMZPZSA-N SMILES C(C(O)=O)C/C=C\C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CC)=O 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 (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204) has role human xenobiotic metabolite (CHEBI:76967) (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204) is a enone (CHEBI:51689) (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204) is a oxodocosahexaenoic acid (CHEBI:134542) (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204) is conjugate acid of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate (CHEBI:140236) Incoming (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate (CHEBI:140236) is conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204) IUPAC Name (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosa-4,7,10,14,16,19-hexaenoic acid Synonyms Sources (4Z,7Z,10Z,14E,16Z,19Z)-13-ketodocosahexaenoic acid ChEBI 13-oxo-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid ChEBI 13-oxo-DHA SUBMITTER 13-oxodocosahexaenoic acid ChEBI Citation Type Source 26339618 PubMed citation Europe PMC Last Modified 22 February 2018