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CHEBI:140409 - (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2−)

ChEBI IDCHEBI:140409
ChEBI Name(8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2−)
Stars
ASCII Name(8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2-)
DefinitionA docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl α-amino group of (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.
Last Modified12 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC32H45N3O10S
Net Charge-2
Average Mass663.790
Monoisotopic Mass663.28366
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=CC=C[C@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@H](O)C/C=C\CCC(=O)[O-]
InChIInChI=1S/C32H47N3O10S/c1-2-3-9-14-23(36)15-10-6-4-5-7-12-17-27(26(37)16-11-8-13-18-29(39)40)46-22-25(31(43)34-21-30(41)42)35-28(38)20-19-24(33)32(44)45/h3-12,15,17,23-27,36-37H,2,13-14,16,18-22,33H2,1H3,(H,34,43)(H,35,38)(H,39,40)(H,41,42)(H,44,45)/p-2/b6-4-,7-5?,9-3-,11-8-,15-10+,17-12?/t23-,24-,25-,26+,27-/m0/s1
InChIKeyISXZTIZZJJNZGD-UDPATQQPSA-L
ChEBI Ontology
Outgoing Relation(s)
(8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2−) (CHEBI:140409) is a docosanoid anion (CHEBI:131864)
(8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2−) (CHEBI:140409) is a peptide anion (CHEBI:60334)
(8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2−) (CHEBI:140409) is a tricarboxylic acid dianion (CHEBI:36300)
(8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2−) (CHEBI:140409) is conjugate base of (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140268)
Incoming Relation(s)
(8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140268) is conjugate acid of (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2−) (CHEBI:140409)
Synonyms  Source
RCTR1(2−)ChEBI
8-glutathionyl-7,17-dihydroxydocosahexaenoate(2−)ChEBI
resolvin conjugate in tissue regeneration 1(2−)ChEBI