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A3B : Summary
Code ![](/pdbe/static/images/help.png)
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A3B
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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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D-VINYLGLYCINE
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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 H7 N O2
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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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101.104 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 |
10.04 |
[O-]C(=O)C(\C=C)[NH3+] |
SMILES
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CACTVS |
3.341 |
[NH3+][CH](C=C)C([O-])=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C=CC(C(=O)[O-])[NH3+] |
Canonical SMILES
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CACTVS |
3.341 |
[NH3+][C@H](C=C)C([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C=C[C@H](C(=O)[O-])[NH3+] |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RQVLGLPAZTUBKX-GSVOUGTGSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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14 (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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2004-08-29
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Last modified at ![](/pdbe/static/images/help.png)
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2020-05-26
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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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