5-methyl-UMP

Properties Image MNX_ID MNXM87343 reference chebi:142797 formula C10H13N2O9P global charge -2 mol weight 336.193 InChIKey IGWHDMPTQKSDTL-JXOAFFINSA-L InChI InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 SMILES CC1=CN([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1 SMILES (mnx) [CH3:1][C:4]1=[CH:2][N:12]([C@H:9]2[C@H:7]([OH:14])[C@H:6]([OH:13])[C@@H:5]([CH2:3][O:20][P:22]([OH:17])([OH:18])=[O:19])[O:21]2)[C:10](=[O:16])[N:11]=[C:8]1[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 5