CHEBI:136106 - (S)-PGA₂-S-glutathione conjugate

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ChEBI Name (S)-PGA2-S-glutathione conjugate ChEBI ID CHEBI:136106 ChEBI ASCII Name (S)-PGA2-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 A2 (where the newly formed stereocentre at position 11 has S-configuration). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H47N3O10S Net Charge 0 Average Mass 641.776 Monoisotopic Mass 641.29822 InChI InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-21-20(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 InChIKey XUKIKVBUXFVHNV-APJWUDRJSA-N SMILES [C@H]1([C@H]([C@H](CC1=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O ChEBI Ontology Outgoing (S)-PGA2-S-glutathione conjugate (CHEBI:136106) has functional parent prostaglandin A2 (CHEBI:27820) (S)-PGA2-S-glutathione conjugate (CHEBI:136106) is a glutathione conjugate (CHEBI:24335) (S)-PGA2-S-glutathione conjugate (CHEBI:136106) is a organic sulfide (CHEBI:16385) (S)-PGA2-S-glutathione conjugate (CHEBI:136106) is a prostanoid (CHEBI:26347) (S)-PGA2-S-glutathione conjugate (CHEBI:136106) is conjugate acid of (S)-PGA2-S-glutathione conjugate(2−) (CHEBI:133769) Incoming (S)-PGA2-S-glutathione conjugate(2−) (CHEBI:133769) is conjugate base of (S)-PGA2-S-glutathione conjugate (CHEBI:136106) IUPAC Name L-γ-glutamyl-S-[(5Z,11β,13E,15S)-1,15-dihydroxy-1,9-dioxoprosta-5,13-dien-11-yl]-L-cysteinylglycine Synonyms Sources (S)-GSH-PGA2 conjugate ChEBI (S)-PGA2-GSH conjugate ChEBI (S)-prostaglandin A2-S-glutathione conjugate ChEBI S-(PGA2)-glutathione ChEBI Registry Number Type Source 8964431 Reaxys Registry Number Reaxys Citation Type Source 9084911 PubMed citation Europe PMC Last Modified 23 February 2017