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NWG : Summary
Code ![](/pdbe/static/images/help.png)
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NWG
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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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5-[(diaminomethylidene)amino]-2-oxopentanoic acid
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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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C6 H11 N3 O3
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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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173.17 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 |
12.01 |
C(=O)(C(O)=O)CCC\N=C(/N)N |
SMILES
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CACTVS |
3.385 |
NC(N)=NCCCC(=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C(CC(=O)C(=O)O)CN=C(N)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(N)=NCCCC(=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C(CC(=O)C(=O)O)CN=C(N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ARBHXJXXVVHMET-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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23 (12 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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2019-05-29
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Last modified at ![](/pdbe/static/images/help.png)
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2020-05-22
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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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