D3T

2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE

Created:	2004-06-28
Last modified:	2011-06-04

Find Related PDB Entry
23 entries where D3T is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	4
Bond Count	46
Aromatic Bond Count	0

2D diagram of D3T

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	(hydroxy-phosphonooxy-phosphoryl) [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Formula	C₁₀ H₁₇ N₂ O₁₃ P₃
Molecular Weight	466.169
Type	DNA OH 3 PRIME TERMINUS

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.341	CC1=CN([CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)C2CCC(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@H]2CC[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKey	InChI	1.03	URGJWIFLBWJRMF-JGVFFNPUSA-N

Related Resource References

Resource Name	Reference
PubChem	65051
ChEMBL	CHEMBL566812
ChEBI	CHEBI:41846

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.