Chemical Component Summary

NameL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE
SynonymsS-OCTYLGLUTATHIONE
Identifiers(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC18 H33 N3 O6 S
Molecular Weight419.536
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1
InChIKeyMJWCZWAVSJZQNL-KBPBESRZSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count2
Bond Count60
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03032 
NameS-octylglutathione
Groups experimental
Synonyms
  • L-γ-Glutamyl-S-octyl-D-cysteinylglycine
  • S-octylglutathione
Categories
  • Amino Acids, Peptides, and Proteins
  • Glutathione Transferase, antagonists & inhibitors
  • Oligopeptides
  • Peptides

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutathione S-transferase Mu 4MSMTLGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...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 443115