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AZZ : Summary
Code
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AZZ
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One-letter code
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X
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Molecule name
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3'-azido-3'-deoxythymidine
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Systematic names
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Formula
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C10 H13 N5 O4
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Formal charge
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0
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Molecular weight
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267.241 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1NC(=O)N(C=C1C)C2OC(C(\N=[N+]=[N-])C2)CO |
SMILES
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CACTVS |
3.370 |
CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] |
Canonical SMILES
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CACTVS |
3.370 |
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] |
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IUPAC InChI | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 |
IUPAC InChI key | HBOMLICNUCNMMY-XLPZGREQSA-N |
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wwPDB Information |
Atom count
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32 (19 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAD
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-11-14
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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