EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140237 - (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate

ChEBI IDCHEBI:140237
ChEBI Name(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate
Stars
ASCII Name(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate
DefinitionA docosanoid anion that is the conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified22 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H31O3
Net Charge-1
Average Mass343.487
Monoisotopic Mass343.22787
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)/p-1/b4-3-,7-6-,12-9-,16-13-,18-15+
InChIKeyAGDTWQLXNUYUDC-RBIAUOINSA-M
ChEBI Ontology
Outgoing Relation(s)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237) is a docosanoid anion (CHEBI:131864)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237) is a long-chain fatty acid anion (CHEBI:57560)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237) is a oxo fatty acid anion (CHEBI:59836)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237) is a polyunsaturated fatty acid anion (CHEBI:76567)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237) is conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205)
Incoming Relation(s)
(7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid (CHEBI:140205) is conjugate acid of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate (CHEBI:140237)
IUPAC Name 
(7Z,10Z,14E,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoate
Synonyms  Source
13-oxo-(7Z,10Z,14E,16Z,19Z)-docosapentaenoateChEBI
(7Z,10Z,14E,16Z,19Z)-13-ketodocosapentaenoateChEBI
13-oxo-ω-3-docosapentaenoateChEBI
13-oxo-DPAn-3(1−)ChEBI