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CHEBI:140346 - 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate

ChEBI IDCHEBI:140346
ChEBI Name17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate
Stars
ASCII Name17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate
DefinitionA docosanoid anion that is the conjugate base of 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified5 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H29O3
Net Charge-1
Average Mass341.471
Monoisotopic Mass341.21222
SMILESCC/C=C\C[C@H]1O/C1=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/h3,5-8,11-15,18,20H,2,4,9-10,16-17,19H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,13-11-,14-3-,15-12-,21-18+/t20-/m1/s1
InChIKeyGNNVMCUWAZZAPX-DUDYUTRASA-M
ChEBI Ontology
Outgoing Relation(s)
17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate (CHEBI:140346) is a docosanoid anion (CHEBI:131864)
17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate (CHEBI:140346) is a long-chain fatty acid anion (CHEBI:57560)
17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate (CHEBI:140346) is a polyunsaturated fatty acid anion (CHEBI:76567)
17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate (CHEBI:140346) is conjugate base of 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid (CHEBI:140192)
Incoming Relation(s)
17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid (CHEBI:140192) is conjugate acid of 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate (CHEBI:140346)
IUPAC Name 
(4Z,7Z,10Z,13Z)-15-{(3R)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}pentadeca-4,7,10,13-tetraenoate
Synonym  Source
17R,(16)-epoxy-DHA(1−)ChEBI