Search MNXref
 Feedback

2-(glutathion-S-yl)-2-(1H-indol-3-yl)acetonitrile

PropertiesImage
MNX_IDMNXM11869 Image of MNXM11869
referencechebi:64981
formulaC20H22N5O6S
global charge-1
mol weight460.492
InChIKeyIYKWLNJKMRZQJG-JFXOEICMSA-M
InChIInChI=1S/C20H23N5O6S/c21-7-16(12-8-23-14-4-2-1-3-11(12)14)32-10-15(19(29)24-9-18(27)28)25-17(26)6-5-13(22)20(30)31/h1-4,8,13,15-16,23H,5-6,9-10,22H2,(H,24,29)(H,25,26)(H,27,28)(H,30,31)/p-1/t13-,15-,16?/m0/s1
SMILESN#CC(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C1=CNC2=C1C=CC=C2
MNX internals
InChI (mnx)InChI=1/C20H23N5O6S/c21-7-16(12-8-23-14-4-2-1-3-11(12)14)32-10-15(19(29)24-9-18(27)28)25-17(26)6-5-13(22)20(30)31/h1-4,8,13,15-16,23H,5-6,9-10,22H2,(H,24,29)(H,25,26)(H,27,28)(H,30,31)/t13-,15-,16?/m0/s1 Image of MNXM11869
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:14]2[C:11](=[CH:3]1)[C:12]([CH:16]([C:7]#[N:21])[S:32][CH2:10][C@@H:15]([C:19](=[N:24][CH2:9][C:18](=[O:27])[OH:28])[OH:29])[N:25]=[C:17]([CH2:6][CH2:5][C@@H:13]([C:20](=[O:30])[OH:31])[NH2:22])[OH:26])=[CH:8][NH:23]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64981
chebi:64981
IYKWLNJKMRZQJG-JFXOEICMSA-M 		2-(glutathion-S-yl)-2-(1H-indol-3-yl)acetonitrile
(2S)-2-ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate
gammaGluCys(IAN)Gly anion
gammaGluCys(IAN)Gly(1-)

kegg.compound:C21664
keggC:C21664
IYKWLNJKMRZQJG-JFXOEICMSA-N 		(Glutathione-S-yl)(1H-indol-3-yl)acetonitrile

metacyc.compound:CPD-12634
metacycM:CPD-12634
IYKWLNJKMRZQJG-JFXOEICMSA-M 		(glutathion-S-yl)(1H-indol-3-yl)acetonitrile
IAN-glutathione conjugate
gammaGluCys(IAN)Gly

seed.compound:cpd23504
seedM:cpd23504
IYKWLNJKMRZQJG-JFXOEICMSA-M 		2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-{[cyano(1H-indol-3-yl)methyl]sulfanyl}ethyl}carbamoyl)butanoic acid
(glutathion-S-yl)(1H-indol-3-yl)acetonitrile
IAN-glutathione conjugate
gammaGluCys(IAN)Gly
indole-3-acetonitrile-glutatione conjugate

CHEBI:64980
chebi:64980
IYKWLNJKMRZQJG-JFXOEICMSA-N 		gammaGluCys(IAN)Gly
IAN-glutathione conjugate
L-gamma-glutamyl-S-[cyano(1H-indol-3-yl)methyl]-L-cysteinylglycine

keggC:M_C21664
seedM:M_cpd23504 		secondary/obsolete/fantasy identifier