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5BU : Summary
Code
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5BU
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One-letter code
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U
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Molecule name
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5-BROMO-URIDINE-5'-MONOPHOSPHATE
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Systematic names
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Formula
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C9 H12 Br N2 O9 P
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Formal charge
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0
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Molecular weight
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403.077 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(Br)C(=O)NC2=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)Br |
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)N2C=C(Br)C(=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)Br |
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IUPAC InChI | InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
IUPAC InChI key | IDPVUMJNEZFMNU-UAKXSSHOSA-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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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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2003-11-05
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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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