5-carboxy-1-(5-O-phospho-β-D-ribofuranosyl)pyridin-1-ium-3-carbonyl adenylate
Chemical Formula:
C22H23N6O17P2
Molecular Weight:
705.401 Daltons
Monoisotopic Mass:
709.0907914936 Daltons
SMILES:
C4(C(=CC(C(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O)=C[N+]=4C5(OC(COP([O-])(=O)[O-])C(O)C(O)5))C([O-])=O)
InChI:
1S/C22H26N6O17P2/c23-17-12-18(25-6-24-17)28(7-26-12)20-16(32)14(30)11(44-20)5-42-47(39,40)45-22(35)9-1-8(21(33)34)2-27(3-9)19-15(31)13(29)10(43-19)4-41-46(36,37)38/h1-3,6-7,10-11,13-16,19-20,29-32H,4-5H2,(H5-,23,24,25,33,34,36,37,38,39,40)/p-3/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20510
ChEBI:
137355
PubChem (CID):
129626627