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C2P : Summary
Code
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C2P
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One-letter code
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X
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Molecule name
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CYTIDINE-2'-MONOPHOSPHATE
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Systematic names
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Formula
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C9 H14 N3 O8 P
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Formal charge
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0
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Molecular weight
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323.197 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1N=C(N)C=CN1C2OC(C(O)C2OP(=O)(O)O)CO |
SMILES
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CACTVS |
3.341 |
NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)OP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O |
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IUPAC InChI | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
IUPAC InChI key | YQUAKORMLHPSLZ-XVFCMESISA-N |
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wwPDB Information |
Atom count
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35 (21 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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