Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L(-)-Glutathione, Oxidized

Graphical representations:


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Molecular Formula: C20H32N6O12S2

Natural Isotopic Abundance Mass: 612.6310800000

Mono-Isotopic Molecular Masses:

  • C12N14: 612.151961904
  • C13N14: 632.21905866
  • C12N15: 618.134171263
  • C13N15: 638.2012680188

InChI string: InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1

IUPAC: (2S)-2-amino-4-[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]disulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid

PubChem Compound (CID): 65359
KEGG Compound ID: C00127
CAS Registry number: 10421-65-5 121-24-4 27025-41-8
ChEBI: 17858
EINECS: 248-170-7
CCRIS: 780
PDB Compound ID: GDS

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,