3AT

3'-DEOXYADENOSINE-5'-TRIPHOSPHATE

Created:	2000-06-21
Last modified:	2021-03-01

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19 entries where 3AT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	5
Bond Count	48
Aromatic Bond Count	10

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Chemical Component Summary
Name	3'-DEOXYADENOSINE-5'-TRIPHOSPHATE
Synonyms	CORDYCEPIN TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₅ O₁₂ P₃
Molecular Weight	491.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]3O
SMILES	OpenEye OEToolkits	1.7.5	c1nc(c2c(n1)n(cn2)C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.7.5	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
InChI	InChI	1.03	InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
InChIKey	InChI	1.03	NLIHPCYXRYQPSD-BAJZRUMYSA-N

Drug Info: DrugBank

DrugBank ID	DB01860
Name	Cordycepin Triphosphate
Groups	experimental
Synonyms	Cordycepin Triphosphate
Categories	Adenine Nucleotides Deoxyribonucleotides Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines
CAS number	73-04-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Poly(A) polymerase alpha	MPFPVTTQGSQQTQPPQKHYGITSPISLAAPKETDCVLTQKLIETLKPFG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682