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CMP : Summary
Code
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CMP
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One-letter code
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X
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Molecule name
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ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
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Synonyms
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CYCLIC AMP
CAMP
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Systematic names
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Formula
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C10 H12 N5 O6 P
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Formal charge
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0
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Molecular weight
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329.206 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O |
SMILES
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CACTVS |
3.341 |
Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N |
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IUPAC InChI | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
IUPAC InChI key | IVOMOUWHDPKRLL-KQYNXXCUSA-N |
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wwPDB Information |
Atom count
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34 (22 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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2020-05-28
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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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