[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-(4-aminophenyl)-1-deoxy-5-[1-α -D- ribofuranosyl triphosphate]-D-ribitol





Chemical Formula:
C25H35N6O18P3
Molecular Weight:
800.502 Daltons
Monoisotopic Mass:
804.1533680109 Daltons
SMILES:
CC(C1(C(C)NC2(=C(N=1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(O)C(O)C(COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])O3))O)O)O)C=C4)
InChI:
1S/C25H39N6O18P3/c1-10(17-11(2)28-22-18(29-17)23(37)31-25(26)30-22)27-13-5-3-12(4-6-13)7-14(32)19(34)15(33)8-45-24-21(36)20(35)16(47-24)9-46-51(41,42)49-52(43,44)48-50(38,39)40/h3-6,10-11,14-16,19-21,24,27,32-36H,7-9H2,1-2H3,(H,41,42)(H,43,44)(H2,38,39,40)(H4,26,28,30,31,37)/p-4/t10-,11+,14+,15-,16-,19+,20-,21-,24+/m1/s1

Databases
MetaCyc:  CPD-10771
PubChem (CID):  90658213 135911944
MetaNetX:  MNXM10401