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JYQ : Summary
Code ![](/pdbe/static/images/help.png)
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JYQ
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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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~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate
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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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C11 H15 N5 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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265.335 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 |
CC(=O)SCCCCn1cnc2c(N)ncnc12 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)SCCCCn1cnc2c1ncnc2N |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)SCCCCn1cnc2c(N)ncnc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)SCCCCn1cnc2c1ncnc2N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H15N5OS/c1-8(17)18-5-3-2-4-16-7-15-9-10(12)13-6-14-11(9)16/h6-7H,2-5H2,1H3,(H2,12,13,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MLUWWHOQAYWORL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (18 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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2019-04-11
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-14
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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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