Properties
Canonical smiles
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O
Chemical formula
C₂₀H₂₇N₁₀O₁₆P₃
Isomeric smiles
C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O
Mass
+756.082
External References (17)
Cas registry number
5959-90-0
Chebi id
27775
Chembl id
CHEMBL407938
Chemspider id
144977
Drugbank id
DB01690
Guide to pharmacology ligand id
5454
Human metabolome database id
HMDB0001155
Inchi
InChI=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
Inchikey
QCICUPZZLIQAPA-XPWFQUROSA-N
Kegg id
C06197
Pdb ligand id
BA3
Pdb structure id
3RS9, 1VHT, 3RQQ
Probes and drugs id
PD052092
Pubchem cid
165381
Reaxys registry number
603878
Surechembl id
1744586
Unichem compound id
49959
🏷️ Also known as
en {[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
en 5'Ap3A
en A(5')p3(5')A
en Adenosine(3)triphosphate adenosine
en Adenosine 5'-triphosphate 5'-adenosine
en adenosine(5')triphospho(5')adenosine
en Adenosine (5')triphospho(5')adenosine
en Ap3A
en Bis(Adenosine)-5'-triphosphate
en diadenosine triphosphate
en P(1),P(3)-Bis(5'-adenosyl) trihydrogen triphosphate
en P1,P3-Bis(5'-adenosyl) triphosphate
en P(1),P(3)-Bis(5'-adenosyl) triphosphate
en P(1)-P(3)-Bis(5'-adenosyl) triphosphate