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- ChemComp-HGS: D-gamma-glutamyl-L-cysteinyl-beta-alanine -

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Basic information

EntryDatabase: PDB chemical components / ID: HGS
NameName: D-gamma-glutamyl-L-cysteinyl-beta-alanine

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Chemical information

Composition
Formula: C11H19N3O6S / Number of atoms: 40 / Formula weight: 321.35 / Formal charge: 0
Others

3kal

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HGS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KAL
History
Create componentNov 17, 2009
Modify descriptorJun 4, 2011
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

CACTVS 3.352N[CH](CCC(=O)N[CH](CS)C(=O)NCCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.352N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7+/m1/s1

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InChIKey

InChI 1.03HKBNQXMLSMKLJV-RQJHMYQMSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1(2R)-2-azanyl-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid

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PDB entries

Showing all 1 items

PDB-3kal:
Structure of homoglutathione synthetase from Glycine max in closed conformation with homoglutathione, ADP, a sulfate ion, and three magnesium ions bound

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