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

Properties Image MNX_ID MNXM1100579 reference metacycM:CPD-16954 formula C9H12N5O8P2 global charge -3 mol weight 380.17 InChIKey PJDXUYNCNWFPCZ-IUYQGCFVSA-K InChI InChI=1S/C9H15N5O8P2/c1-3-5(4(2)21-24(19,20)22-23(16,17)18)12-6-7(11-3)13-9(10)14-8(6)15/h3-4H,1-2H3,(H,19,20)(H2,16,17,18)(H4,10,11,13,14,15)/p-3/t3-,4+/m0/s1 SMILES C[C@@H]1NC2=C(N=C1[C@@H](C)OP(=O)([O-])OP(=O)([O-])[O-])C(=O)NC(N)=N2 MNX internals InChI (mnx) InChI=1/C9H15N5O8P2/c1-3-5(4(2)21-24(19,20)22-23(16,17)18)12-6-7(11-3)13-9(10)14-8(6)15/h3-4H,1-2H3,(H,19,20)(H2,16,17,18)(H4,10,11,13,14,15)/t3-,4+/m0/s1 SMILES (mnx) [CH3:1][C@H:3]1[C:5]([C@@H:4]([CH3:2])[O:21][P:24]([OH:19])(=[O:20])[O:22][P:23]([OH:16])([OH:17])=[O:18])=[N:12][C:6]2=[C:7]([NH:11]1)[NH:13][C:9](=[NH:10])[N:14]=[C:8]2[OH:15]

Parent-child relations graph

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