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

Properties Image MNX_ID MNXM1100527 reference metacycM:CPD-16955 formula C20H25N6O8P global charge -2 mol weight 508.428 InChIKey GZLAEKVQDKNSMK-XSFFFJKMSA-L InChI InChI=1S/C20H27N6O8P/c1-8(13-9(2)23-18-14(24-13)19(29)26-20(21)25-18)22-11-5-3-10(4-6-11)17-16(28)15(27)12(34-17)7-33-35(30,31)32/h3-6,8-9,12,15-17,22,27-28H,7H2,1-2H3,(H2,30,31,32)(H4,21,23,25,26,29)/p-2/t8-,9+,12-,15-,16-,17+/m1/s1 SMILES C[C@@H]1NC2=C(N=C1[C@@H](C)NC1=CC=C([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C=C1)C(=O)NC(N)=N2 MNX internals InChI (mnx) InChI=1/C20H27N6O8P/c1-8(13-9(2)23-18-14(24-13)19(29)26-20(21)25-18)22-11-5-3-10(4-6-11)17-16(28)15(27)12(34-17)7-33-35(30,31)32/h3-6,8-9,12,15-17,22,27-28H,7H2,1-2H3,(H2,30,31,32)(H4,21,23,25,26,29)/t8-,9+,12-,15-,16-,17+/m1/s1 SMILES (mnx) [CH3:1][C@H:8]([C:13]1=[N:24][C:14]2=[C:18]([NH:23][C@H:9]1[CH3:2])[NH:25][C:20](=[NH:21])[N:26]=[C:19]2[OH:29])[NH:22][C:11]1=[CH:6][CH:4]=[C:10]([C@H:17]2[C@H:16]([OH:28])[C@H:15]([OH:27])[C@@H:12]([CH2:7][O:33][P:35]([OH:30])([OH:31])=[O:32])[O:34]2)[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0