5'-O-phosphonoadenylyl-(3'→5')-adenosine

Chemical Formula:

C₂₀H₂₃N₁₀O₁₃P₂

Molecular Weight:

673.408 Daltons

Monoisotopic Mass:

676.1156039939 Daltons

SMILES:

C(C3(C(O)C(O)C(N2(C1(=NC=NC(N)=C1N=C2)))O3))OP([O-])(=O)OC6(C(O)C(N5(C4(=NC=NC(N)=C4N=C5)))OC(COP([O-])([O-])=O)6)

InChI:

1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)11(31)7(41-19)1-40-45(37,38)43-14-8(2-39-44(34,35)36)42-20(13(14)33)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/p-3/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

InChIKey:

GTUJJVSZIHQLHA-XPWFQUROSA-K

Synonyms

pApA
linear 5'-phosphadenylyl-adenosine

Databases

MetaCyc: CPD-21427

ChEBI: 138171

PubChem (CID): 129626759