CHEBI:136112 - (S)-PGJ2-S-glutathione conjugate

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ChEBI Name (S)-PGJ2-S-glutathione conjugate
ChEBI ID CHEBI:136112
ChEBI ASCII Name (S)-PGJ2-S-glutathione conjugate
Definition A 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 S-configuration).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H47N3O10S
Net Charge 0
Average Mass 641.776
Monoisotopic Mass 641.29822
InChI InChI=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
InChIKey RJCPXHXLCWWGHO-APJWUDRJSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1[C@@H]([C@H](C(C1)=O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O)C(=O)NCC(=O)O)C(=O)O
ChEBI Ontology
Outgoing (S)-PGJ2-S-glutathione conjugate (CHEBI:136112) has functional parent prostaglandin J2 (CHEBI:27485)
(S)-PGJ2-S-glutathione conjugate (CHEBI:136112) is a glutathione conjugate (CHEBI:24335)
(S)-PGJ2-S-glutathione conjugate (CHEBI:136112) is a organic sulfide (CHEBI:16385)
(S)-PGJ2-S-glutathione conjugate (CHEBI:136112) is a prostanoid (CHEBI:26347)
(S)-PGJ2-S-glutathione conjugate (CHEBI:136112) is conjugate acid of (S)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133772)
Incoming (S)-PGJ2-S-glutathione conjugate(2−) (CHEBI:133772) is conjugate base of (S)-PGJ2-S-glutathione conjugate (CHEBI:136112)
IUPAC Name
L-γ-glutamyl-S-[(5Z,9α,13E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,13-dien-9-yl]-L-cysteinylglycine
Synonyms Sources
(S)-GSH-PGJ2 conjugate ChEBI
(S)-PGJ2-GSH conjugate ChEBI
(S)-prostaglandin J2-S-glutathione conjugate ChEBI
S-(PGJ2)-glutathione ChEBI
Registry Number Type Source
8964342 Reaxys Registry Number Reaxys
Last Modified
23 February 2017