Dataset

(gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, (2S)-2-amino-5-[[(2R)-3-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT102353 contains the MS2 mass spectrum of (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, (2S)-2-amino-5-[[(2R)-3-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, Oxigluthione, Glutathiol, Glutathione (oxidized form) with the InChIkey YPZRWBKMTBYPTK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI 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)
SMILES C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
InChI Key YPZRWBKMTBYPTK-UHFFFAOYSA-N
Molecular Formula C20H32N6O12S2
Exact Mass 612.636 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT102353
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Author
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MetadataPublished 2008-07-25
Related Molecule
  • 2-amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-3422431705 Mcule
    5255796 PubChem
    975 PubChem
    J2.846.921G Nikkaji
    167606 ChEBI
    234034 Brenda
    164387 Brenda
    PD055356 ProbesDrugs
    1988297 eMolecules
    121-24-4 ACToR
    SCHEMBL1533892 SureChEMBL
    The data in this table is sourced from UniChem at EBI.