pppGp(2'-5')A

Chemical Formula:

C₂₀H₂₃N₁₀O₂₀P₄

Molecular Weight:

847.352 Daltons

Monoisotopic Mass:

852.0431794328 Daltons

SMILES:

C(OP(OC3(C(O)C(N1(C=NC2(C(=O)NC(N)=NC1=2)))OC(COP(OP(OP([O-])(=O)[O-])(=O)[O-])(=O)[O-])3))(=O)[O-])C6(OC(N4(C=NC5(C(N)=NC=NC4=5)))C(O)C(O)6)

InChI:

1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)10(31)6(46-18)1-44-52(38,39)48-13-7(2-45-53(40,41)50-54(42,43)49-51(35,36)37)47-19(12(13)33)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/p-5/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1

InChIKey:

WZKCGSOAUKRPOC-INFSMZHSSA-I

Databases

MetaCyc: CPD-16785

PubChem (CID): 122706277 136630904

ChEBI: 78318

MetaNetX: MNXM145875