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URA : Summary
Code 
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URA
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One-letter code 
|
X
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Molecule name 
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URACIL
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Systematic names 
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Formula 
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C4 H4 N2 O2
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Formal charge 
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0
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Molecular weight 
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112.087 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1C=CNC(=O)N1 |
SMILES
|
CACTVS |
3.341 |
O=C1NC=CC(=O)N1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1=CNC(=O)NC1=O |
Canonical SMILES
|
CACTVS |
3.341 |
O=C1NC=CC(=O)N1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1=CNC(=O)NC1=O |
|
IUPAC InChI  | InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) |
IUPAC InChI key  | ISAKRJDGNUQOIC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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12 (8 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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1999-07-08
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Last modified at 
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2011-06-04
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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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