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CHEBI:133543 - (4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate

ChEBI IDCHEBI:133543
ChEBI Name(4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate
Stars
ASCII Name(4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate
DefinitionA hydroxy polyunsaturated fatty acid anion that is the conjugate base of (4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified20 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC22H29O4
Net Charge-1
Average Mass357.470
Monoisotopic Mass357.20713
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\C1OC1C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H30O4/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20-21(26-20)17-12-8-13-18-22(24)25/h3-12,15-16,19-21,23H,2,13-14,17-18H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20?,21?/m0/s1
InChIKeyBOFBVWROGCPAFH-VEYGSZKMSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate (CHEBI:133543) is a hydroxy polyunsaturated fatty acid anion (CHEBI:131871)
(4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate (CHEBI:133543) is a long-chain fatty acid anion (CHEBI:57560)
(4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate (CHEBI:133543) is conjugate base of (4Z,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoic acid (CHEBI:134608)
Incoming Relation(s)
(4Z,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoic acid (CHEBI:134608) is conjugate acid of (4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate (CHEBI:133543)
IUPAC Name 
(4Z)-6-{3-[(1E,3E,5Z,7E,9S,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hex-4-enoate
Synonyms  Source
7,8-epoxy-17S-HDHA(1−)ChEBI
7,8-epoxy-(17S)-hydroxy-(4Z,7E,9E,11E,13Z,15E,19Z)-docosahexaenoateChEBI