Molybdopterin

Properties Image MNX_ID MNXM1365591 reference seedM:cpd03520 formula C10H11N5O6PS2 global charge -3 mol weight 392.335 InChIKey OYCGLTULCYRTKY-BMFJQBBXSA-K InChI InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,6,9,12,24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/p-3/t2-,3+,6?,9-/m1/s1 SMILES NC1=NC(=O)C2=C(N1)N[C@@H]1O[C@H](COP(=O)([O-])[O-])C(=S)C([S-])[C@@H]1N2 MNX internals InChI (mnx) InChI=1/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,6,9,12,24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,6?,9-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:2]1[C:5](=[S:23])[CH:6]([SH:24])[C@H:3]2[C@H:9]([NH:13][C:7]3=[C:4]([C:8]([OH:16])=[N:15][C:10](=[NH:11])[NH:14]3)[NH:12]2)[O:21]1)[O:20][P:22]([OH:17])([OH:18])=[O:19]

Parent-child relations graph

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