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CHEBI:136576 - (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid

ChEBI IDCHEBI:136576
ChEBI Name(7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid
Stars
ASCII Name(7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid
DefinitionA epoxydocosatetraenoic acid obtained by formal epoxidation across the 13,14-double bond of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid.
Last Modified16 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILESCC/C=C\C/C=C\CC1OC1C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O3/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/h3-4,6-7,11-12,14-15,20-21H,2,5,8-10,13,16-19H2,1H3,(H,23,24)/b4-3-,7-6-,14-11-,15-12-
InChIKeyQOMFBJRPKDFMQK-WRWCHPBISA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (16112640)
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,16Z,19Z)-13,14-epoxydocosatetraenoic acid (CHEBI:136576) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
(7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid (CHEBI:136576) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid (CHEBI:136576) is a epoxydocosatetraenoic acid (CHEBI:136574)
(7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid (CHEBI:136576) is conjugate acid of (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoate (CHEBI:133937)
Incoming Relation(s)
(7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoate (CHEBI:133937) is conjugate base of (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid (CHEBI:136576)
IUPAC Name 
(7Z,10Z)-12-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-7,10-dienoic acid
Synonym  Source
13,14-epoxy-(7Z,10Z,16Z,19Z)-docosatetraenoic acidChEBI
Citations