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CHEBI:136444 - (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1−)

ChEBI IDCHEBI:136444
ChEBI Name(E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1−)
Stars
ASCII Name(E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1-)
DefinitionAn S-substituted glutathione(1−) obtained by deprotonation of the the two carboxy groups and protonation of the glutamyl amino group of (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate. Major microspecies at pH 7.3.
Last Modified5 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H24N5O7S
Net Charge-1
Average Mass478.507
Monoisotopic Mass478.14019
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CS/C(Cc1cnc2ccccc12)=N/O)C(=O)NCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C20H25N5O7S/c21-13(20(30)31)5-6-16(26)24-15(19(29)23-9-18(27)28)10-33-17(25-32)7-11-8-22-14-4-2-1-3-12(11)14/h1-4,8,13,15,22,32H,5-7,9-10,21H2,(H,23,29)(H,24,26)(H,27,28)(H,30,31)/p-1/b25-17+/t13-,15-/m0/s1
InChIKeyRAKAOQJZHXOSHL-FZRQNGHYSA-M
ChEBI Ontology
Outgoing Relation(s)
(E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1−) (CHEBI:136444) is a S-substituted glutathione(1−) (CHEBI:90779)
(E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1−) (CHEBI:136444) is conjugate base of (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate (CHEBI:137265)
Incoming Relation(s)
(E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate (CHEBI:137265) is conjugate acid of (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1−) (CHEBI:136444)
IUPAC Name 
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate
Synonym  Source
S-[(E)-N-hydroxy(indole-3-yl)acetimidoyl]-L-glutathione(1−)SUBMITTER
UniProt Name  Source
(E)-1-(glutathione-S-yl)-2-(1H-indol-3-yl)acetohydroximateUniProt
Manual XrefsDatabases
CPD-12387MetaCyc