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

Properties Image MNX_ID MNXM10401 reference metacycM:CPD-10771 formula C25H35N6O18P3 global charge -4 mol weight 800.501 InChIKey VQNWNPAEGLRVCS-IAYFEUEDSA-J InChI 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 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@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C=C1)C(=O)NC(N)=N2 MNX internals InChI (mnx) InChI=1/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)/t10-,11+,14+,15-,16-,19+,20-,21-,24+/m1/s1 SMILES (mnx) [CH3:1][C@H:10]([C:17]1=[N:29][C:18]2=[C:22]([NH:28][C@H:11]1[CH3:2])[NH:30][C:25](=[NH:26])[N:31]=[C:23]2[OH:37])[NH:27][C:13]1=[CH:6][CH:4]=[C:12]([CH2:7][C@@H:14]([C@@H:19]([C@@H:15]([CH2:8][O:45][C@@H:24]2[C@H:21]([OH:36])[C@H:20]([OH:35])[C@@H:16]([CH2:9][O:46][P:51]([OH:41])(=[O:42])[O:49][P:52]([OH:43])(=[O:44])[O:48][P:50]([OH:38])([OH:39])=[O:40])[O:47]2)[OH:33])[OH:34])[OH:32])[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