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AZD : Summary
Code
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AZD
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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-5'-DIPHOSPHATE
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Systematic names
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Formula
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C10 H15 N5 O10 P2
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Formal charge
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0
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Molecular weight
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427.201 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2/N=[N+]=[N-] |
SMILES
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CACTVS |
3.341 |
CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)N=[N+]=[N-] |
Canonical SMILES
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CACTVS |
3.341 |
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-] |
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IUPAC InChI | InChI=1S/C10H15N5O10P2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-27(21,22)25-26(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 |
IUPAC InChI key | QOYVAFWJURKBJG-XLPZGREQSA-N |
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wwPDB Information |
Atom count
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42 (27 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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HETAIN
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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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1999-07-08
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Last modified at
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2011-06-04
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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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