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XKV : Summary
Code ![](/pdbe/static/images/help.png)
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XKV
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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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(2R)-2-aminobutanamide
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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 H10 N2 O
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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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102.135 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 |
CCC(N)C(N)=O |
SMILES
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CACTVS |
3.385 |
CC[CH](N)C(N)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCC(C(=O)N)N |
Canonical SMILES
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CACTVS |
3.385 |
CC[C@H](N)C(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC[C@@H](C(=O)N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HNNJFUDLLWOVKZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (7 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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2020-12-18
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Last modified at ![](/pdbe/static/images/help.png)
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2021-06-18
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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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