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CHEBI:140205 - (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid

ChEBI IDCHEBI:140205
ChEBI Name(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid
Stars
ASCII Name(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid
DefinitionAn docosanoid that is (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid carrying an oxo substituent at position 13. An intermediate of specialised proresolving mediators.
Last Modified22 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H32O3/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/h3-4,6-7,9,12-13,15-16,18H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,16-13-,18-15+
InChIKeyAGDTWQLXNUYUDC-RBIAUOINSA-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)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205) is a docosanoid (CHEBI:131863)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205) is a enone (CHEBI:51689)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205) is a oxo fatty acid (CHEBI:59644)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205) is conjugate acid of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237)
Incoming Relation(s)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237) is conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205)
IUPAC Name 
(7Z,10Z,14E,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid
Synonyms  Source
13-oxo-DPAn-3SUBMITTER
13-oxo-ω-3-docosapentaenoic acidChEBI
(7Z,10Z,14E,16Z,19Z)-13-ketodocosapentaenoic acidChEBI
13-oxo-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acidChEBI
Citations