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PSU : Summary
Code
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PSU
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One-letter code
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U
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Molecule name
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PSEUDOURIDINE-5'-MONOPHOSPHATE
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Systematic names
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Formula
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C9 H13 N2 O9 P
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Formal charge
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0
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Molecular weight
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324.181 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O |
SMILES
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CACTVS |
3.341 |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)COP(=O)(O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
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IUPAC InChI | InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1 |
IUPAC InChI key | MOBMOJGXNHLLIR-GBNDHIKLSA-N |
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wwPDB Information |
Atom count
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34 (21 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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U
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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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