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- ChemComp-GSF: L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE -

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Basic information

EntryDatabase: PDB chemical components / ID: GSF
NameName: L-gamma-glutamyl-3-sulfino-L-alanylglycine / Synonyms: GLUTATHIONE SULFINATE

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Chemical information

Composition
Formula: C10H17N3O8S / Number of atoms: 39 / Formula weight: 339.322 / Formal charge: 0
Others

1yzx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GSF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1YZX
History
Create componentMar 9, 2005
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N
CACTVS 3.385N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.5C(CC(=O)NC(CS(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H](CCC(=O)N[C@@H](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.5C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03DMAPAHUEYHXRFI-WDSKDSINSA-N

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SYSTEMATIC NAME

ACDLabs 10.04L-gamma-glutamyl-3-sulfino-L-alanylglycine
OpenEye OEToolkits 1.5.0(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfino-propan-2-yl]amino]-5-oxo-pentanoic acid

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PDB entries

Showing all 6 items

PDB-1yzx:
Crystal structure of human kappa class glutathione transferase

PDB-4ee0:
Crystal structure of hH-PGDS with water displacing inhibitor

PDB-4id0:
Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate

PDB-4mk3:
Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h)

PDB-4png:
Glutathione S-transferase from Drosophila melanogaster - isozyme E7

PDB-7d9l:
Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and glutathione sulfinic acid

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