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AP7 : Summary
Code
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AP7
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One-letter code
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A
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Molecule name
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N1-PROTONATED ADENOSINE-5'-MONOPHOSPHATE
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Systematic names
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Formula
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C10 H15 N5 O7 P
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Formal charge
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1
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Molecular weight
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348.229 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=P(O)(O)OCC3OC(n2cnc1c(N)[nH+]cnc12)C(O)C3O |
SMILES
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CACTVS |
3.370 |
Nc1[nH+]cnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N |
Canonical SMILES
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CACTVS |
3.370 |
Nc1[nH+]cnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
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IUPAC InChI | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1 |
IUPAC InChI key | UDMBCSSLTHHNCD-KQYNXXCUSA-O |
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wwPDB Information |
Atom count
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38 (23 without Hydrogen)
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Polymer type
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Ribonucleotide
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Type description
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RNA LINKING
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Type code
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ATOMN
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Is modified
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Yes
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Standard parent
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A
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Defined at
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2004-08-10
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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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