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A1AFC : Summary
Code ![](/pdbe/static/images/help.png)
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A1AFC
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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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2,4,5-trimethyl-1,3-thiazole
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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 H9 N 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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127.207 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 |
Cc1sc(C)nc1C |
SMILES
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CACTVS |
3.385 |
Cc1sc(C)c(C)n1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c(sc(n1)C)C |
Canonical SMILES
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CACTVS |
3.385 |
Cc1sc(C)c(C)n1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c(sc(n1)C)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BAMPVSWRQZNDQC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (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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2024-02-22
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Last modified at ![](/pdbe/static/images/help.png)
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2024-06-14
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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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