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NFQ : Summary
Code
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NFQ
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One-letter code
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X
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Molecule name
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N-[(E)-iminomethyl]-L-aspartic acid
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Synonyms
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N-formimino-L-Aspartate
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Systematic names
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Formula
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C5 H8 N2 O4
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Formal charge
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0
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Molecular weight
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160.128 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(NC=[N@H])CC(=O)O |
SMILES
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CACTVS |
3.370 |
OC(=O)C[CH](NC=N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
C(C(C(=O)O)NC=N)C(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
OC(=O)C[C@H](NC=N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
[H]/N=C/N[C@@H](CC(=O)O)C(=O)O |
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IUPAC InChI | InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 |
IUPAC InChI key | XTPIFIMCFHNJOH-VKHMYHEASA-N |
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wwPDB Information |
Atom count
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19 (11 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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2010-04-12
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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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