BA3

BIS(ADENOSINE)-5'-TRIPHOSPHATE


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Chemical Component Summary

NameBIS(ADENOSINE)-5'-TRIPHOSPHATE
Identifiers[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
FormulaC20 H27 N10 O16 P3
Molecular Weight756.407
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N
InChIInChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyQCICUPZZLIQAPA-XPWFQUROSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count10
Bond Count81
Aromatic Bond Count20

Drug Info: DrugBank

DrugBank IDDB01690 
NameBis(Adenosine)-5'-Triphosphate
Groups experimental
SynonymsBis(Adenosine)-5'-Triphosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Dephospho-CoA kinaseMRYIVALTGGIGSGKSTVANAFADLGINVIDADIIARQVVEPGAPALHAI...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

Related Resource References

Resource NameReference
PubChem 165381
ChEMBL CHEMBL407938
ChEBI CHEBI:27775