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3GC : Summary
Code ![](/pdbe/static/images/help.png)
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3GC
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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GAMMA-GLUTAMYLCYSTEINE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C8 H14 N2 O5 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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250.272 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(NC(=O)CCC(C(=O)O)N)CS |
SMILES
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CACTVS |
3.341 |
N[CH](CCC(=O)N[CH](CS)C(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RITKHVBHSGLULN-WHFBIAKZSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (16 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2002-07-01
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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