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280 : Summary
Code ![](/pdbe/static/images/help.png)
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280
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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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1-methyl-1H-imidazole-5-carbaldehyde
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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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C5 H6 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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110.114 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=Cc1cncn1C |
SMILES
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CACTVS |
3.341 |
Cn1cncc1C=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cn1cncc1C=O |
Canonical SMILES
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CACTVS |
3.341 |
Cn1cncc1C=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cn1cncc1C=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BNYKZFOZWZMEJD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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14 (8 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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2007-10-24
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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