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CHEBI:136447 - (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1−)

ChEBI IDCHEBI:136447
ChEBI Name(Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1−)
Stars
ASCII Name(Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(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-phenylacetohydroximate. Major microspecies at pH 7.3.
Last Modified5 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H23N4O7S
Net Charge-1
Average Mass439.470
Monoisotopic Mass439.12929
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CS/C(Cc1ccccc1)=N\O)C(=O)NCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C18H24N4O7S/c19-12(18(27)28)6-7-14(23)21-13(17(26)20-9-16(24)25)10-30-15(22-29)8-11-4-2-1-3-5-11/h1-5,12-13,29H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1/b22-15-/t12-,13-/m0/s1
InChIKeyDMZSTCRTOPLDAY-XUJJJAFJSA-M
ChEBI Ontology
Outgoing Relation(s)
(Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1−) (CHEBI:136447) is a S-substituted glutathione(1−) (CHEBI:90779)
(Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1−) (CHEBI:136447) is conjugate base of (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate (CHEBI:137281)
Incoming Relation(s)
(Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate (CHEBI:137281) is conjugate acid of (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1−) (CHEBI:136447)
IUPAC Name 
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1Z)-N-hydroxy-2-phenylethanimidoyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate
Synonym  Source
S-[(Z)-N-hydroxy(4-hydroxyphenyl)acetimidoyl]-L-glutathioneMetaCyc
UniProt Name  Source
(Z)-1-(glutathione-S-yl)-2-phenylacetohydroximateUniProt
Manual XrefsDatabases
CPD-12384MetaCyc