Chemical Component Summary

NameGLUTATHIONE S-(2,4 DINITROBENZENE)
Identifiers(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,4-dinitrophenyl)sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC16 H19 N5 O10 S
Molecular Weight473.415
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1
InChIKeyFXEUKVKGTKDDIQ-UWVGGRQHSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count2
Bond Count51
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02458 
NameS-(2,4-dinitrophenyl)glutathione
Groups experimental
Synonyms
  • dinitrophenyl-S-glutathione
  • S-(2,4-dinitrophenyl)glutathione
  • DNP-SGc
  • DNP-S-glutathione
Categories
  • Amino Acids, Peptides, and Proteins
  • Haptens
  • Oligopeptides
  • Peptides
CAS number26289-39-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutathione S-transferase Mu 1MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...unknown
Glutathione S-transferase Mu 2MPMTLGYWNIRGLAHSIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 97535
ChEMBL CHEMBL1232997
ChEBI CHEBI:8927