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

Chemical Formula:

C₂₀H₂₇N₆O₈P

Molecular Weight:

510.442 Daltons

Monoisotopic Mass:

512.1784484489 Daltons

SMILES:

CC(C1(C(C)NC2(=C(N=1)C(NC(=N2)N)=O)))NC3(=CC=C(CC(C(C(COP([O-])(=O)[O-])O)O)O)C=C3)

InChI:

1S/C20H29N6O8P/c1-9(15-10(2)23-18-16(24-15)19(30)26-20(21)25-18)22-12-5-3-11(4-6-12)7-13(27)17(29)14(28)8-34-35(31,32)33/h3-6,9-10,13-14,17,22,27-29H,7-8H2,1-2H3,(H2,31,32,33)(H4,21,23,25,26,30)/p-2/t9-,10+,13+,14-,17+/m1/s1

InChIKey:

ZFQSHDINJYPMCG-LBCWATLXSA-L

Databases

MetaCyc: CPD-10767

PubChem (CID): 90657326 135911920

MetaNetX: MNXM10403