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

Properties Image MNX_ID MNXM1101203 reference metacycM:CPD-10767 formula C20H27N6O8P global charge -2 mol weight 510.444 InChIKey ZFQSHDINJYPMCG-LBCWATLXSA-L InChI 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 SMILES C[C@@H]1NC2=C(N=C1[C@@H](C)NC1=CC=C(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])C=C1)C(=O)NC(N)=N2 MNX internals InChI (mnx) InChI=1/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)/t9-,10+,13+,14-,17+/m1/s1 SMILES (mnx) [CH3:1][C@H:9]([C:15]1=[N:24][C:16]2=[C:18]([NH:23][C@H:10]1[CH3:2])[NH:25][C:20](=[NH:21])[N:26]=[C:19]2[OH:30])[NH:22][C:12]1=[CH:6][CH:4]=[C:11]([CH2:7][C@@H:13]([C@@H:17]([C@@H:14]([CH2:8][O:34][P:35]([OH:31])([OH:32])=[O:33])[OH:28])[OH:29])[OH:27])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0