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CGP : Summary
Code
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CGP
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One-letter code
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X
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Molecule name
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2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
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Systematic names
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Formula
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C19 H25 N8 O10 P
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Formal charge
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0
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Molecular weight
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556.423 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.341 |
NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N |
Canonical SMILES
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CACTVS |
3.341 |
NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N |
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IUPAC InChI | InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1 |
IUPAC InChI key | OBCJQWSXSLYWHI-GVKYBDNRSA-N |
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wwPDB Information |
Atom count
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63 (38 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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