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88B : Summary
Code ![](/pdbe/static/images/help.png)
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88B
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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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4-diazanyl-4-oxidanylidene-butanoic 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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C4 H8 N2 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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132.118 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
NNC(=O)CCC(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C(CC(=O)O)C(=O)NN |
Canonical SMILES
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CACTVS |
3.385 |
NNC(=O)CCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C(CC(=O)O)C(=O)NN |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XRMBRQWBOICYRP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (9 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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2019-07-25
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Last modified at ![](/pdbe/static/images/help.png)
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2020-08-21
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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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