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8DT : Summary
Code
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8DT
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One-letter code
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U
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Molecule name
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5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine
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Systematic names
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Formula
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C14 H20 N3 O9 P
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Formal charge
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0
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Molecular weight
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405.297 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(=O)NCC=CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O |
SMILES
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OpenEye OEToolkits |
2.0.5 |
CC(=O)NCC=CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)NC/C=C/C1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.5 |
CC(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
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IUPAC InChI | InChI=1S/C14H20N3O9P/c1-8(18)15-4-2-3-9-6-17(14(21)16-13(9)20)12-5-10(19)11(26-12)7-25-27(22,23)24/h2-3,6,10-12,19H,4-5,7H2,1H3,(H,15,18)(H,16,20,21)(H2,22,23,24)/b3-2+/t10-,11+,12+/m0/s1 |
IUPAC InChI key | JBKMBEZUJCTZND-FBUKTIRESA-N |
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wwPDB Information |
Atom count
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47 (27 without Hydrogen)
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Polymer type
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Deoxy ribonucleotide
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Type description
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DNA 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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DU
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Defined at
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2016-09-12
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Last modified at
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2016-09-16
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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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