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

ChEBI IDCHEBI:140204
ChEBI Name(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid
DefinitionAn 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.
Last Modified22 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESCC/C=C\C/C=C\C=C\C(=O)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=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+
InChIKeyJGZAOFOLFDPNTJ-SKSHMZPZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (26339618)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
13-oxo-DHASUBMITTER
13-oxodocosahexaenoic acidChEBI
(4Z,7Z,10Z,14E,16Z,19Z)-13-ketodocosahexaenoic acidChEBI
13-oxo-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acidChEBI
Citations