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

ChEBI IDCHEBI:77016
ChEBI Name(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
Stars
ASCII Name(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
DefinitionA 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.
Last Modified6 January 2015
Submitterlaimo
DownloadsMolfile
FormulaC22H31O2
Net Charge-1
Average Mass327.488
Monoisotopic Mass327.23295
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=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-
InChIKeyMBMBGCFOFBJSGT-KUBAVDMBSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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)
N-DHA-L-phenylalanine(1−) (CHEBI:149701) 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)
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)
1,2,3-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-HPDHE(1−) (CHEBI:83336) 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)
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  Source
(4Z,7Z,10Z,13Z,16Z,19Z)-DHA(1−)SUBMITTER
C22:6(ω-3) (1−)SUBMITTER
UniProt Name  Source
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoateUniProt
Registry NumbersSources
Reaxys:9224188Reaxys