CHEBI:133768 - (R)-PGA2-S-glutathione conjugate(2−)

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ChEBI Name (R)-PGA2-S-glutathione conjugate(2−)
ChEBI ID CHEBI:133768
ChEBI ASCII Name (R)-PGA2-S-glutathione conjugate(2-)
Definition A prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl α-amino group of (R)-PGA2-S-glutathione conjugate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C30H45N3O10S
Net Charge -2
Average Mass 639.760
Monoisotopic Mass 639.28366
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)/p-2/b7-4-,13-12+/t19-,20+,21+,22-,23-,25+/m0/s1
InChIKey XUKIKVBUXFVHNV-PVBZBVPYSA-L
SMILES [C@H]1([C@H]([C@@H](CC1=O)SC[C@H](NC(CC[C@H]([NH3+])C(=O)[O-])=O)C(=O)NCC(=O)[O-])/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-]
ChEBI Ontology
Outgoing (R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768) has functional parent glutathionate(1−) (CHEBI:57925)
(R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768) has functional parent prostaglandin A2(1−) (CHEBI:133370)
(R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768) is a prostanoid anion (CHEBI:62943)
(R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768) is conjugate base of (R)-PGA2-S-glutathione conjugate (CHEBI:136105)
Incoming (R)-PGA2-S-glutathione conjugate (CHEBI:136105) is conjugate acid of (R)-PGA2-S-glutathione conjugate(2−) (CHEBI:133768)
IUPAC Name
(5Z,11α,13E,15S)-11-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-15-hydroxy-9-oxoprosta-5,13-dien-1-oate
Synonym Source
prostaglandin A2-S-(R)-glutathione UniProt
Citation Waiting for Citations Type Source
9084911 PubMed citation SUBMITTER
Last Modified
23 February 2017