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CHEBI:136575 - (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid

ChEBI IDCHEBI:136575
ChEBI Name(7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid
Stars
ASCII Name(7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid
DefinitionA epoxydocosatetraenoic acid obtained by formal epoxidation across the 16,17-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\CC1OC1C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,12,14-15,20-21H,2,4,9-11,13,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,14-3-,15-12-
InChIKeyQQYGVFSESLSOGB-JRGWTXQPSA-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,13Z,19Z)-16,17-epoxydocosatetraenoic acid (CHEBI:136575) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
(7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid (CHEBI:136575) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid (CHEBI:136575) is a epoxydocosatetraenoic acid (CHEBI:136574)
(7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid (CHEBI:136575) is conjugate acid of (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoate (CHEBI:133936)
Incoming Relation(s)
(7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoate (CHEBI:133936) is conjugate base of (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid (CHEBI:136575)
IUPAC Name 
(7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-7,10,13-trienoic acid
Synonym  Source
16,17-epoxy-(7Z,10Z,13Z,19Z)-docosatetraenoic acidChEBI
Citations