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CHEBI:140313 - (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate

ChEBI IDCHEBI:140313
ChEBI Name(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate
Stars
ASCII Name(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate
DefinitionA docosanoid anion that is the conjugate base of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H29O3
Net Charge-1
Average Mass341.471
Monoisotopic Mass341.21222
SMILESCC/C=C\C[C@@H]1O[C@H]1/C=C/C=C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H30O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,10-15,18,20-21H,2,4,9,16-17,19H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,12-10+,13-11-,14-3-,18-15+/t20-,21-/m0/s1
InChIKeyXLYRHVKBJYDBOS-JTFGAIIUSA-M
ChEBI Ontology
Outgoing Relation(s)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate (CHEBI:140313) is a docosanoid anion (CHEBI:131864)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate (CHEBI:140313) is a long-chain fatty acid anion (CHEBI:57560)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate (CHEBI:140313) is a polyunsaturated fatty acid anion (CHEBI:76567)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate (CHEBI:140313) is conjugate base of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225)
Incoming Relation(s)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225) is conjugate acid of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate (CHEBI:140313)
IUPAC Name 
(4Z,7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,12,14-pentaenoate
Synonyms  Source
(16S,17S)-epoxy-DHA(1−)ChEBI
(16S,17S)-epoxyprotectin(1−)ChEBI
(16S,17S)-epoxydocosahexaenoateChEBI