Summary

IMPPAT Phytochemical identifier: IMPHY002664

Phytochemical name: gamma-Glutamyl-s-methylcysteine

Synonymous chemical names:
gamma glutamyl-gamma-glutamyl-s-methylcysteine, gamma glutamyl-s-methylcysteine

External chemical identifiers:
CID:13894650, ChEBI:168622, SureChEMBL:SCHEMBL1157661

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Chemical structure information

SMILES:
CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N

InChI:
InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)

InChIKey:
UPCDLBPYWXOCOK-UHFFFAOYSA-N

DeepSMILES:
CSCCC=O)O))NC=O)CCCC=O)O))N

Functional groups:
CC(=O)O, CN, CNC(C)=O, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Dipeptides

NP-Likeness score: 0.409

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Chemical structure download