EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136105 - (R)-PGA2-S-glutathione conjugate

ChEBI IDCHEBI:136105
ChEBI Name(R)-PGA2-S-glutathione conjugate
Stars
ASCII Name(R)-PGA2-S-glutathione conjugate
DefinitionA glutathione conjugate obtained by formal 1,4-addition of the thiol function of glutathione to the enone function of prostaglandin A2 (where the newly formed stereocentre at position 11 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]1[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)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
InChIKeyXUKIKVBUXFVHNV-PVBZBVPYSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-PGA2-S-glutathione conjugate (CHEBI:136105) has functional parent prostaglandin A2 (CHEBI:27820)
(R)-PGA2-S-glutathione conjugate (CHEBI:136105) is a glutathione conjugate (CHEBI:24335)
(R)-PGA2-S-glutathione conjugate (CHEBI:136105) is a organic sulfide (CHEBI:16385)
(R)-PGA2-S-glutathione conjugate (CHEBI:136105) is a prostanoid (CHEBI:26347)
(R)-PGA2-S-glutathione conjugate (CHEBI:136105) is conjugate acid of (R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768)
Incoming Relation(s)
(R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768) is conjugate base of (R)-PGA2-S-glutathione conjugate (CHEBI:136105)
IUPAC Name 
L-γ-glutamyl-S-[(5Z,11α,13E,15S)-1,15-dihydroxy-1,9-dioxoprosta-5,13-dien-11-yl]-L-cysteinylglycine
Synonyms  Source
(R)-prostaglandin A2-S-glutathione conjugateChEBI
(R)-PGA2-GSH conjugateChEBI
(R)-GSH-PGA2 conjugateChEBI
S-(PGA2)-glutathioneChEBI
Registry NumbersSources
Reaxys:8964430Reaxys
Citations