GSF

L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE

Created: 2005-03-09
Last modified:  2020-06-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count3
Bond Count38
Aromatic Bond Count0
2D diagram of GSF
Toggle HydrogenToggle Labels

Chemical Component Summary

NameL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE
SynonymsGLUTATHIONE SULFINATE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfino-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC10 H17 N3 O8 S
Molecular Weight339.322
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N
SMILESCACTVS3.385N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.7.5C(CC(=O)NC(CS(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
Canonical SMILESCACTVS3.385 N[C@@H](CCC(=O)N[C@@H](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.5 C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1
InChIKeyInChI1.03 DMAPAHUEYHXRFI-WDSKDSINSA-N

Drug Info: DrugBank

DrugBank IDDB04700 
NameGLUTATHIONE SULFINATE
Groups experimental
SynonymsGLUTATHIONE SULFINATE

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutathione S-transferase kappa 1MGPLPRTVELFYDVLSPYSWLGFEILCRYQNIWNINLQLRPSLITGIMKD...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 5326960