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NIG : Summary
Code
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NIG
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One-letter code
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X
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Molecule name
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N-(IMINOMETHYL)-L-GLUTAMIC ACID
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Systematic names
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Formula
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C6 H10 N2 O4
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Formal charge
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0
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Molecular weight
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174.155 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)CCC(NC=[N@H])C(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)CC[CH](NC=N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
[H]N=CNC(CCC(=O)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)CC[C@H](NC=N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O |
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IUPAC InChI | InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 |
IUPAC InChI key | NRXIKWMTVXPVEF-BYPYZUCNSA-N |
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wwPDB Information |
Atom count
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22 (12 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-05-10
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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