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CHEBI:136831 - S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion

ChEBI IDCHEBI:136831
ChEBI NameS-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion
Stars
ASCII NameS-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion
DefinitionA dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine; major species at pH 7.3.
Last Modified28 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H18N4O4S
Net Charge0
Average Mass350.400
Monoisotopic Mass350.10488
SMILES[NH3+][C@@H](CS/C(Cc1cnc2ccccc12)=N/O)C(=O)NCC(=O)[O-]
InChIInChI=1S/C15H18N4O4S/c16-11(15(22)18-7-14(20)21)8-24-13(19-23)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6,11,17,23H,5,7-8,16H2,(H,18,22)(H,20,21)/b19-13+/t11-/m0/s1
InChIKeyPQEHILHGDWJAOT-YODGCNRUSA-N
ChEBI Ontology
Outgoing Relation(s)
S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion (CHEBI:136831) is a dipeptide zwitterion (CHEBI:90799)
S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion (CHEBI:136831) is tautomer of S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine (CHEBI:137672)
Incoming Relation(s)
S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine (CHEBI:137672) is tautomer of S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion (CHEBI:136831)
IUPAC Name 
{[(2R)-2-azaniumyl-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}propanoyl]amino}acetate
Synonyms  Source
S-(indole-3-acetohydroximoyl)-L-cysteinylglycine zwitterionChEBI
indole-3-acetohydroximoyl-cysteinylglycine zwitterionChEBI
UniProt Name  Source
(E)-1-(glycyl-L-cystein-S-yl)-2-(1H-indol-3-yl)acetohydroximateUniProt
Manual XrefsDatabases
CPD-12388MetaCyc