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- ChemComp-0HH: L-gamma-glutamyl-S-nonyl-L-cysteinylglycine -

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Basic information

EntryDatabase: PDB chemical components / ID: 0HH
NameName: L-gamma-glutamyl-S-nonyl-L-cysteinylglycine

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Chemical information

Composition
Formula: C19H35N3O6S / Number of atoms: 64 / Formula weight: 433.563 / Formal charge: 0
Others

12gs

GGL

GT9

GLY

Type: peptide-like / PDB classification: HETAIN / Three letter code: 0HH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 12GS / Model coordinates details: not provided / Subcomponent: GGL, GT9, GLY
History
Create componentFeb 4, 2009
Modify subcomponent listFeb 15, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / Nikkaji / PubChem / SureChEMBL / 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 12.01O=C(NC(C(=O)NCC(=O)O)CSCCCCCCCCC)CCC(C(=O)O)N
CACTVS 3.370CCCCCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.0CCCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370CCCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.0CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C19H35N3O6S/c1-2-3-4-5-6-7-8-11-29-13-15(18(26)21-12-17(24)25)22-16(23)10-9-14(20)19(27)28/h14-15H,2-13,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/t14-,15-/m0/s1

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InChIKey

InChI 1.03LUOWFOMONLCPJP-GJZGRUSLSA-N

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SYSTEMATIC NAME

ACDLabs 12.01L-gamma-glutamyl-S-nonyl-L-cysteinylglycine
OpenEye OEToolkits 1.7.0(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-nonylsulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid

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PDB entries

Showing all 1 items

PDB-12gs:
GLUTATHIONE S-TRANSFERASE COMPLEXED WITH S-NONYL-GLUTATHIONE

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