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LW1 : Summary
Code ![](/pdbe/static/images/help.png)
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LW1
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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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thiophene-2-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 H4 O 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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112.15 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 |
C(c1cccs1)=O |
SMILES
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CACTVS |
3.385 |
O=Cc1sccc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(sc1)C=O |
Canonical SMILES
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CACTVS |
3.385 |
O=Cc1sccc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(sc1)C=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CNUDBTRUORMMPA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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11 (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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2018-04-20
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Last modified at ![](/pdbe/static/images/help.png)
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2019-06-07
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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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