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CHEBI:136110 - (R)-PGJ2-S-glutathione conjugate

ChEBI IDCHEBI:136110
ChEBI Name(R)-PGJ2-S-glutathione conjugate
Stars
ASCII Name(R)-PGJ2-S-glutathione conjugate
DefinitionA glutathione conjugate obtained by formal 1,4-addition of the thiol function of glutathione to the enone function of prostaglandin J2 (where the newly formed stereocentre at position 9 has R-configuration).
Last Modified23 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC30H47N3O10S
Net Charge0
Average Mass641.784
Monoisotopic Mass641.29822
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-23,25,34H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19-,20+,21+,22-,23-,25+/m0/s1
InChIKeyRJCPXHXLCWWGHO-PVBZBVPYSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-PGJ2-S-glutathione conjugate (CHEBI:136110) has functional parent prostaglandin J2 (CHEBI:27485)
(R)-PGJ2-S-glutathione conjugate (CHEBI:136110) is a glutathione conjugate (CHEBI:24335)
(R)-PGJ2-S-glutathione conjugate (CHEBI:136110) is a organic sulfide (CHEBI:16385)
(R)-PGJ2-S-glutathione conjugate (CHEBI:136110) is a prostanoid (CHEBI:26347)
(R)-PGJ2-S-glutathione conjugate (CHEBI:136110) is conjugate acid of (R)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133771)
Incoming Relation(s)
(R)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133771) is conjugate base of (R)-PGJ2-S-glutathione conjugate (CHEBI:136110)
IUPAC Name 
L-γ-glutamyl-S-[(5Z,9β,13E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,13-dien-9-yl]-L-cysteinylglycine
Synonyms  Source
S-(PGJ2)-glutathioneChEBI
(R)-prostaglandin J2-S-glutathione conjugateChEBI
(R)-GSH-PGJ2 conjugateChEBI
(R)-PGJ2-GSH conjugateChEBI
Registry NumbersSources
Reaxys:8964341Reaxys
Citations