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CHEBI:140252 - (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid

ChEBI IDCHEBI:140252
ChEBI Name(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid
Stars
ASCII Name(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid
DefinitionA oxodocosahexaenoic acid that consists of (4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoic acid carrying an oxo substituent at position 7. An intermediate of specialised proresolving mediators.
Last Modified7 March 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
InChIKeySITZAHBLAZBWRW-XJAVJPOHSA-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,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252) is a enone (CHEBI:51689)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252) is a oxodocosahexaenoic acid (CHEBI:134542)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252) is conjugate acid of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate (CHEBI:140382)
Incoming Relation(s)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate (CHEBI:140382) is conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252)
IUPAC Name 
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosa-4,8,10,13,16,19-hexaenoic acid
Synonyms  Source
7-oxo-DHASUBMITTER
(4Z,8E,10Z,13Z,16Z,19Z)-7-ketodocosahexaenoic acidChEBI
7-oxodocosahexaenoic acidChEBI
7-oxo-(4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoic acidChEBI
Registry NumbersSources
Reaxys:27937080Reaxys
Citations