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THM : Summary
Code
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THM
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One-letter code
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X
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Molecule name
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THYMIDINE
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Synonyms
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DEOXYTHYMIDINE
2'-DEOXYTHYMIDINE
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Systematic names
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Formula
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C10 H14 N2 O5
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Formal charge
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0
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Molecular weight
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242.229 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO |
SMILES
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CACTVS |
3.341 |
CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
Canonical SMILES
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CACTVS |
3.341 |
CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
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IUPAC InChI | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
IUPAC InChI key | IQFYYKKMVGJFEH-XLPZGREQSA-N |
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wwPDB Information |
Atom count
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31 (17 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 OH 5 prime terminus
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Type code
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ATOMN
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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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2020-06-17
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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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