EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:136569 - (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid

ChEBI IDCHEBI:136569
ChEBI Name(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid
Stars
ASCII Name(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid
DefinitionAn EpDPE obtained by formal epoxidation across the 10,11-double bond of all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
Last Modified16 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C/C=C\C/C=C\CC1OC1C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-11-14-17-20-21(25-20)18-15-12-9-10-13-16-19-22(23)24/h3-4,6-7,10-15,20-21H,2,5,8-9,16-19H2,1H3,(H,23,24)/b4-3-,7-6-,13-10-,14-11-,15-12-
InChIKeyYYZNJWZRJUGQCW-UQZHZJRSSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (16112640)
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)
(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid (CHEBI:136569) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid (CHEBI:136569) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid (CHEBI:136569) is a epoxydocosapentaenoic acid (CHEBI:72654)
(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid (CHEBI:136569) is conjugate acid of (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoate (CHEBI:133934)
Incoming Relation(s)
(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoate (CHEBI:133934) is conjugate base of (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid (CHEBI:136569)
IUPAC Name 
(4Z,7Z)-9-{3-[(2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl]oxiran-2-yl}nona-4,7-dienoic acid
Synonyms  Source
10(11)-EpDoPEChEBI
10,11-epoxy-(4Z,7Z,13Z,16Z,19Z)-docosapentaenoic acidChEBI
10(11)-EpDPELIPID MAPS
10(11)-epoxy-4Z,7Z,13Z,16Z,19Z-docosapentaenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA04000035LIPID MAPS
Registry NumbersSources
Reaxys:20599769Reaxys
Citations