TTP   Click here for help

GtoPdb Ligand ID: 5505

Synonyms: 5'-dTTP | 5-methyl-UTP | ribothymidine triphosphate | thymidine 5'-triphosphate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 8
Topological polar surface area 273.57
Molecular weight 481.99
XLogP -4.71
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OC1CC(OC1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O
Isomeric SMILES O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O
InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChI Key NHVNXKFIZYSCEB-XLPZGREQSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms Click here for help
5'-dTTP | 5-methyl-UTP | ribothymidine triphosphate | thymidine 5'-triphosphate
Database Links Click here for help
CAS Registry No. 365-08-2 (source: Scifinder)
ChEBI CHEBI:63550
ChEMBL Ligand CHEMBL363559
GtoPdb PubChem SID 178102151
PubChem CID 64968
RCSB PDB Ligand TTP
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Wikipedia Thymidine_triphosphate