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CHEBI:136426 - S-[(2-phenylethyl)carbamothioyl]glutathione

Default Structure
ChEBI IDCHEBI:136426
ChEBI NameS-[(2-phenylethyl)carbamothioyl]glutathione
Stars
ASCII NameS-[(2-phenylethyl)carbamothioyl]glutathione
DefinitionA glutathione conjugate in which the mercapto hydrogen of glutathione has been replaced by a (2-phenylethyl)carbamothioyl group.
Last Modified6 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H26N4O6S2
Net Charge0
Average Mass470.573
Monoisotopic Mass470.12938
SMILESN[C@@H](CCC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C19H26N4O6S2/c20-13(18(28)29)6-7-15(24)23-14(17(27)22-10-16(25)26)11-31-19(30)21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,20H2,(H,21,30)(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1
InChIKeyWSGBVCNCZSZCGE-KBPBESRZSA-N
ChEBI Ontology
Outgoing Relation(s)
S-[(2-phenylethyl)carbamothioyl]glutathione (CHEBI:136426) has functional parent phenethyl isothiocyanate (CHEBI:351346)
S-[(2-phenylethyl)carbamothioyl]glutathione (CHEBI:136426) is a dithiocarbamic ester (CHEBI:38129)
S-[(2-phenylethyl)carbamothioyl]glutathione (CHEBI:136426) is a glutathione conjugate (CHEBI:24335)
S-[(2-phenylethyl)carbamothioyl]glutathione (CHEBI:136426) is conjugate acid of S-[(2-phenylethyl)carbamothioyl]glutathione(1−) (CHEBI:133883)
Incoming Relation(s)
S-[(2-phenylethyl)carbamothioyl]glutathione(1−) (CHEBI:133883) is conjugate base of S-[(2-phenylethyl)carbamothioyl]glutathione (CHEBI:136426)
IUPAC Name 
L-γ-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine
Synonym  Source
S-(N-phenylethylthiocarbamoyl)glutathioneChEBI
Registry NumbersSources
Reaxys:8398315Reaxys
Citations