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C45 : Summary
Code ![](/pdbe/static/images/help.png)
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C45
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One-letter code ![](/pdbe/static/images/help.png)
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C
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Molecule name ![](/pdbe/static/images/help.png)
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N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
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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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C10 H16 N3 O8 P
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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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337.223 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 |
10.04 |
O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
CONC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CONC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
CONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GCOHQLVAXYZLMM-LKEWCRSYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (22 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Deoxy ribonucleotide
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Type description ![](/pdbe/static/images/help.png)
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DNA LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMN
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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DC
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Defined at ![](/pdbe/static/images/help.png)
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1993-07-15
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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