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
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)
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