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

Properties Image MNX_ID MNXM10402 reference metacycM:CPD-10768 formula C20H28N6O5 global charge 0 mol weight 432.481 InChIKey DRRFDRHVSLHJGW-LBCWATLXSA-N InChI InChI=1S/C20H28N6O5/c1-9(15-10(2)23-18-16(24-15)19(31)26-20(21)25-18)22-12-5-3-11(4-6-12)7-13(28)17(30)14(29)8-27/h3-6,9-10,13-14,17,22,27-30H,7-8H2,1-2H3,(H4,21,23,25,26,31)/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)CO)C=C1)C(=O)NC(N)=N2 MNX internals InChI (mnx) InChI=1/C20H28N6O5/c1-9(15-10(2)23-18-16(24-15)19(31)26-20(21)25-18)22-12-5-3-11(4-6-12)7-13(28)17(30)14(29)8-27/h3-6,9-10,13-14,17,22,27-30H,7-8H2,1-2H3,(H4,21,23,25,26,31)/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:31])[NH:22][C:12]1=[CH:6][CH:4]=[C:11]([CH2:7][C@@H:13]([C@@H:17]([C@@H:14]([CH2:8][OH:27])[OH:29])[OH:30])[OH:28])[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