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NLG : Summary
Code
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NLG
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One-letter code
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X
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Molecule name
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N-ACETYL-L-GLUTAMATE
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Systematic names
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Formula
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C7 H11 N O5
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Formal charge
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0
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Molecular weight
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189.166 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(NC(C(=O)O)CCC(=O)O)C |
SMILES
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CACTVS |
3.341 |
CC(=O)N[CH](CCC(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NC(CCC(=O)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)N[C@@H](CCC(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)N[C@@H](CCC(=O)O)C(=O)O |
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IUPAC InChI | InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 |
IUPAC InChI key | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
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wwPDB Information |
Atom count
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24 (13 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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2001-12-28
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Last modified at
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2011-06-04
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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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