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CHEBI:140200 - (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid

ChEBI IDCHEBI:140200
ChEBI Name(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid
Stars
ASCII Name(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid
DefinitionAn epoxydocosapentaenoic acid (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid in which the epoxy group is located at the 13,14-position. An intermediate in the specialised proresolving mediators
Last Modified22 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C/C=C\CC1OC1/C=C/C=C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h3-4,6-7,9,11-12,14-15,18,20-21H,2,5,8,10,13,16-17,19H2,1H3,(H,23,24)/b4-3-,7-6-,12-9+,14-11-,18-15+
InChIKeyLVAPVCGLGWDERB-DUKKATAHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23736886)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:140200) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:140200) is a epoxydocosapentaenoic acid (CHEBI:72654)
(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:140200) is conjugate acid of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoate (CHEBI:140235)
Incoming Relation(s)
(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoate (CHEBI:140235) is conjugate base of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:140200)
IUPAC Name 
(7Z,9E,11E)-12-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-7,9,11-trienoic acid
Synonyms  Source
13,14-epoxy-DPAn-3SUBMITTER
13,14-epoxydocosapentaenoic acidChEBI
13,14-epoxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acidChEBI
Citations