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CHEBI:140394 - 16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2−)

ChEBI IDCHEBI:140394
ChEBI Name16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2−)
Stars
ASCII Name16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2-)
DefinitionA docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl α-amino group of 16(S)-glutathionyl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid; major species at pH 7.3.
Last Modified12 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC32H45N3O9S
Net Charge-2
Average Mass647.791
Monoisotopic Mass647.28875
SMILESCC/C=C\C[C@@H](O)[C@H](C=CC=CC=CC/C=C\C/C=C\CCC(=O)[O-])SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]
InChIInChI=1S/C32H47N3O9S/c1-2-3-14-17-26(36)27(18-15-12-10-8-6-4-5-7-9-11-13-16-19-29(38)39)45-23-25(31(42)34-22-30(40)41)35-28(37)21-20-24(33)32(43)44/h3,5-8,10-15,18,24-27,36H,2,4,9,16-17,19-23,33H2,1H3,(H,34,42)(H,35,37)(H,38,39)(H,40,41)(H,43,44)/p-2/b7-5-,8-6?,12-10?,13-11-,14-3-,18-15?/t24-,25-,26+,27-/m0/s1
InChIKeyRYALZZFZNGJXAF-AKGNYEKSSA-L
ChEBI Ontology
Outgoing Relation(s)
16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2−) (CHEBI:140394) is a docosanoid anion (CHEBI:131864)
16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2−) (CHEBI:140394) is a peptide anion (CHEBI:60334)
16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2−) (CHEBI:140394) is a tricarboxylic acid dianion (CHEBI:36300)
16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2−) (CHEBI:140394) is conjugate base of 16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid (CHEBI:140262)
Incoming Relation(s)
16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid (CHEBI:140262) is conjugate acid of 16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2−) (CHEBI:140394)
Synonyms  Source
16-glutathionyl-17-hydroxy-4Z,7Z,10,12,14,19Z-docosahexaenoate(2−)ChEBI
PCTR1(2−)ChEBI
protectin conjugate in tissue regeneration 1(2−)ChEBI