Dihydroneopterin phosphate

Properties Image MNX_ID MNXM1364434 reference seedM:cpd03521 formula C9H12N5O7P global charge -2 mol weight 333.197 InChIKey ZKGDYPWMLQRLTN-SRBOSORUSA-L InChI InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h3-4,12,15H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/p-2/t3?,4-/m1/s1 SMILES NC1=NC(=O)C2=C(NCC(C(=O)[C@H](O)COP(=O)([O-])[O-])N2)N1 MNX internals InChI (mnx) InChI=1/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h3-4,12,15H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t3?,4-/m1/s1 SMILES (mnx) [CH2:1]1[CH:3]([C:6]([C@@H:4]([CH2:2][O:21][P:22]([OH:18])([OH:19])=[O:20])[OH:15])=[O:16])[NH:12][C:5]2=[C:7]([NH:11]1)[NH:13][C:9](=[NH:10])[N:14]=[C:8]2[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 2