CHEBI:137265 - (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate
ChEBI ID CHEBI:137265
ChEBI ASCII Name (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate
Definition A glutathione conjugate in which the mercapto hydrogen of glutathione has been replaced by an N-hydroxy-2-(indol-3-yl)ethanimidoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1360357, ZINC000000538471
Download Molfile XML SDF
Formula C20H25N5O7S
Net Charge 0
Average Mass 479.509
Monoisotopic Mass 479.14747
InChI InChI=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)/b25-17+/t13-,15-/m0/s1
InChIKey RAKAOQJZHXOSHL-FZRQNGHYSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CS\C(=N\O)\CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)O)C(=O)O
ChEBI Ontology
Outgoing (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate (CHEBI:137265) is a N-hydroxyimidothioate (CHEBI:136428)
(E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate (CHEBI:137265) is a glutathione conjugate (CHEBI:24335)
(E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate (CHEBI:137265) is a indoles (CHEBI:24828)
(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)
Incoming (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)
IUPAC Name
L-γ-glutamyl-S-[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-L-cysteinylglycine
Synonyms Sources
indole-3-acetohydroximoyl-glutathione MetaCyc
S-[(E)-N-hydroxy(indole-3-yl)acetimidoyl]-L-glutathione MetaCyc
Manual Xref Database
CPD-12387 MetaCyc
View more database links
Last Modified
01 June 2017