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CHEBI:50016 - S-{2-[4-(dihydroxyarsino)phenylamino]-2-oxoethyl}-glutathione

ChEBI IDCHEBI:50016
ChEBI NameS-{2-[4-(dihydroxyarsino)phenylamino]-2-oxoethyl}-glutathione
Stars
ASCII NameS-{2-[4-(dihydroxyarsino)phenylamino]-2-oxoethyl}-glutathione
Last Modified23 May 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H25AsN4O9S
Net Charge0
Average Mass548.406
Monoisotopic Mass548.05582
SMILESN[C@@H](CCC(=O)N[C@@H](CSCC(=O)Nc1ccc([As](O)O)cc1)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C18H25AsN4O9S/c20-12(18(29)30)5-6-14(24)23-13(17(28)21-7-16(26)27)8-33-9-15(25)22-11-3-1-10(2-4-11)19(31)32/h1-4,12-13,31-32H,5-9,20H2,(H,21,28)(H,22,25)(H,23,24)(H,26,27)(H,29,30)/t12-,13-/m0/s1
InChIKeyADJQAKCDADMLPP-STQMWFEESA-N
ChEBI Ontology
Outgoing Relation(s)
S-{2-[4-(dihydroxyarsino)phenylamino]-2-oxoethyl}-glutathione (CHEBI:50016) has functional parent p-aminophenylarsonous acid (CHEBI:50022)
S-{2-[4-(dihydroxyarsino)phenylamino]-2-oxoethyl}-glutathione (CHEBI:50016) is a glutathione derivative (CHEBI:24337)
IUPAC Name 
L-γ-glutamyl-S-(2-{[4-(dihydroxyarsino)phenyl]amino}-2-oxoethyl)-L-cysteinylglycine
Synonyms  Source
4-(N-(S-glutathionylacetyl)amino)phenylarsenoxideChEBI
GSAOChEBI