CHEBI:72853 - 17(18)-EpETE

ChEBI IDCHEBI:72853
ChEBI Name17(18)-EpETE
Stars
DefinitionAn EpETE obtained by formal epoxidation of the 17,18-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCCC1OC1C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-
InChIKeyGPQVVJQEBXAKBJ-JPURVOHMSA-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).
Biological Roles:
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)
17(18)-EpETE (CHEBI:72853) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
17(18)-EpETE (CHEBI:72853) has role metabolite (CHEBI:25212)
17(18)-EpETE (CHEBI:72853) is a EpETE (CHEBI:72852)
17(18)-EpETE (CHEBI:72853) is conjugate acid of 17,18-EETeTr(1−) (CHEBI:76633)
Incoming Relation(s)
17(R),18(S)-EETeTr (CHEBI:76953) is a 17(18)-EpETE (CHEBI:72853)
17(S),18(R)-EETeTr (CHEBI:76955) is a 17(18)-EpETE (CHEBI:72853)
17,18-EETeTr(1−) (CHEBI:76633) is conjugate base of 17(18)-EpETE (CHEBI:72853)
IUPAC Name 
(5Z,8Z,11Z,14Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,8,11,14-tetraenoic acid
Synonyms  Source
17(18)-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acidChEBI
17,18-epoxyicosatetraenoic acidChEBI
17,18-epoxyeicosatetraenoic acidChEBI
17,18-EEQChEBI
17,18-EETeTrChEBI
Manual XrefsDatabases
LMFA03000004LIPID MAPS
HMDB0010212HMDB
Registry NumbersSources
Reaxys:20599767Reaxys