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CHEBI:137183 - (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid

ChEBI IDCHEBI:137183
ChEBI Name(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid
DefinitionA (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid with (19S,20R)-configuration.
Last Modified30 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=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-/t20-,21+/m1/s1
InChIKeyOSXOPUBJJDUAOJ-MWEXLPNRSA-N
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).
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.
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,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid (CHEBI:137183) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(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,19S,20R)-19,20-epoxydocosapentaenoic acid (CHEBI:137183) is conjugate acid of (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoate (CHEBI:136411)
(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid (CHEBI:137183) is enantiomer of (4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoic acid (CHEBI:137154)
Incoming Relation(s)
(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoate (CHEBI:136411) is conjugate base of (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid (CHEBI:137183)
(4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoic acid (CHEBI:137154) is enantiomer of (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid (CHEBI:137183)
IUPAC Name 
(4Z,7Z,10Z,13Z,16Z)-18-[(2S,3R)-3-ethyloxiran-2-yl]octadeca-4,7,10,13,16-pentaenoic acid
Synonyms  Source
(19S,20R)-epoxy-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acidChEBI
(19S,20R)-EpDPEChEBI
Registry NumbersSources
Reaxys:8580825Reaxys
Citations