CHEBI:77016 - (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate ChEBI ID CHEBI:77016 ChEBI ASCII Name (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate Definition A polyunsaturated fatty acid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic 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 Lucila Aimo 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 C22H31O2 Net Charge -1 Average Mass 327.48090 Monoisotopic Mass 327.23295 InChI InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- InChIKey MBMBGCFOFBJSGT-KUBAVDMBSA-M SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC([O-])=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) has role human metabolite (CHEBI:77746) (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) is a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative (CHEBI:149500) (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) is a docosahexaenoate (CHEBI:78060) (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) is conjugate base of all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) Incoming (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate (CHEBI:133795) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate (CHEBI:133931) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate (CHEBI:133932) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoate (CHEBI:133933) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoate (CHEBI:134057) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoate (CHEBI:133934) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) 1,2,3-tricervonoylglycerol (CHEBI:147311) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:189862) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-methylethanolamine zwitterion (CHEBI:189861) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) 11S-hydroperoxy-(4Z,7Z,9E,13Z,16Z,19Z)-docosahexaenoate(1−) (CHEBI:156131) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) 14(S)-HPDHE(1−) (CHEBI:78048) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) 14-HPDHE(1−) (CHEBI:83336) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) N-DHA-L-phenylalanine(1−) (CHEBI:149701) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol (CHEBI:147310) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) is conjugate acid of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016) IUPAC Name (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate Synonyms Sources (4Z,7Z,10Z,13Z,16Z,19Z)-DHA(1−) SUBMITTER (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate UniProt C22:6(ω-3) (1−) SUBMITTER Registry Number Type Source 9224188 Reaxys Registry Number Reaxys Last Modified 06 January 2015