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60P : Summary
Code ![](/pdbe/static/images/help.png)
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60P
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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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3-methylthiophene-2-carboxylic 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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C6 H6 O2 S
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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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142.176 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 |
Cc1ccsc1C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.4 |
Cc1ccsc1C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ccsc1C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
Cc1ccsc1C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IFLKEBSJTZGCJG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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15 (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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2016-01-12
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Last modified at ![](/pdbe/static/images/help.png)
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2016-04-22
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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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