CHEBI:72653 - (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid

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ChEBI Name (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid
ChEBI ID CHEBI:72653
ChEBI ASCII Name (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid
Definition An EpDPE obtained by formal epoxidation of the 19,20-double bond of docosa-4,7,10,13,16,19-hexaenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB91235565, eMolecules:27521438, ZINC000013415989
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Formula C22H32O3
Net Charge 0
Average Mass 344.489
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-,16-14-
InChIKey OSXOPUBJJDUAOJ-MBYQGORISA-N
SMILES C(C(O)=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1C(CC)O1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via epoxydocosapentaenoic acid )
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ChEBI Ontology
Outgoing (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) is a epoxydocosapentaenoic acid (CHEBI:72654)
(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) is conjugate acid of (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate (CHEBI:133931)
Incoming (4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoic acid (CHEBI:137154) is a (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653)
(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid (CHEBI:137183) is a (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653)
(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate (CHEBI:133931) is conjugate base of (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653)
IUPAC Name
(4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid
Synonyms Sources
19(20)-EpDPE ChEBI
19(20)-epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid ChEBI
19,20-EDP ChEBI
19,20-epoxydocosapentaenoic acid ChEBI
Manual Xrefs Databases
HMDB0013620 HMDB
LMFA04000038 LIPID MAPS
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Registry Number Type Source
20599773 Reaxys Registry Number Reaxys
Last Modified
30 May 2017