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CHEBI:133771 - (R)-PGJ2-S-glutathione conjugate(2−)

ChEBI IDCHEBI:133771
ChEBI Name(R)-PGJ2-S-glutathione conjugate(2−)
Stars
ASCII Name(R)-PGJ2-S-glutathione conjugate(2-)
DefinitionA prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl α-amino group of (R)-PGJ2-S-glutathione conjugate; major species at pH 7.3.
Last Modified23 February 2017
Submitterlaimo
DownloadsMolfile
FormulaC30H45N3O10S
Net Charge-2
Average Mass639.768
Monoisotopic Mass639.28366
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])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)/p-2/b7-4-,13-12+/t19-,20+,21+,22-,23-,25+/m0/s1
InChIKeyRJCPXHXLCWWGHO-PVBZBVPYSA-L
ChEBI Ontology
Outgoing Relation(s)
(R)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133771) has functional parent glutathionate(1−) (CHEBI:57925)
(R)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133771) has functional parent prostaglandin J2(1−) (CHEBI:133396)
(R)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133771) is a prostanoid anion (CHEBI:62943)
(R)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133771) is conjugate base of (R)-PGJ2-S-glutathione conjugate (CHEBI:136110)
Incoming Relation(s)
(R)-PGJ2-S-glutathione conjugate (CHEBI:136110) is conjugate acid of (R)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133771)
IUPAC Name 
(5Z,9β,13E,15S)-9-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-15-hydroxy-11-oxoprosta-5,13-dien-1-oate
UniProt Name  Source
prostaglandin J2-S-(R)-glutathioneUniProt
Citations