EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:194498 - 15-deoxy-Δ12,14-prostaglandin J2-S-glutathione conjugate(2−)

ChEBI IDCHEBI:194498
ChEBI Name15-deoxy-Δ12,14-prostaglandin J2-S-glutathione conjugate(2−)
Stars
ASCII Name15-deoxy-Delta(12,14)-prostaglandin J2-S-glutathione conjugate(2-)
DefinitionA prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl α-amino group of 15-deoxy-Δ12,14-prostaglandin J2-S-glutathione conjugate; major species at pH 7.3.
Last Modified21 March 2023
Submitternhn
DownloadsMolfile
FormulaC30H43N3O9S
Net Charge-2
Average Mass621.753
Monoisotopic Mass621.27310
SMILESCCCCC/C=C/C=C1/C(=O)CC(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/C30H45N3O9S/c1-2-3-4-5-6-9-12-20-21(13-10-7-8-11-14-27(36)37)25(17-24(20)34)43-19-23(29(40)32-18-28(38)39)33-26(35)16-15-22(31)30(41)42/h6-7,9-10,12,21-23,25H,2-5,8,11,13-19,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/p-2/b9-6+,10-7-,20-12+/t21-,22+,23+,25?/m1/s1
InChIKeyPJVSKAKTGJJITI-YPYHUWNQSA-L
ChEBI Ontology
Outgoing Relation(s)
15-deoxy-Δ12,14-prostaglandin J2-S-glutathione conjugate(2−) (CHEBI:194498) has functional parent 15-deoxy-Δ12,14-prostaglandin J2(1−) (CHEBI:85236)
15-deoxy-Δ12,14-prostaglandin J2-S-glutathione conjugate(2−) (CHEBI:194498) is a prostanoid anion (CHEBI:62943)
UniProt Name  Source
15-deoxy-Δ12,14-prostaglandin J2-S-(R)-glutathioneUniProt
Citations