DAD

2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
11 entries where DAD 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	47
Aromatic Bond Count	10

2D diagram of DAD

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[[(2R,5S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₅ O₁₁ P₃
Molecular Weight	475.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@@H]3CC[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@@H]3CC[C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)N
InChI	InChI	1.03	InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
InChIKey	InChI	1.03	OAKPWEUQDVLTCN-RQJHMYQMSA-N

Related Resource References

Resource Name	Reference
PubChem	444836

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.