5-methyldeoxycytidine diphosphate

Properties Image MNX_ID MNXM4399 reference chebi:58541 formula C10H14N3O10P2 global charge -3 mol weight 398.181 InChIKey SHFOWZBOBJJZAP-XLPZGREQSA-K InChI InChI=1S/C10H17N3O10P2/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H2,11,12,15)(H2,16,17,18)/p-3/t6-,7+,8+/m0/s1 SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])O2)C(=O)N=C1N MNX internals InChI (mnx) InChI=1/C10H17N3O10P2/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 SMILES (mnx) [CH3:1][C:5]1=[CH:3][N:13]([C@H:8]2[CH2:2][C@H:6]([OH:14])[C@@H:7]([CH2:4][O:21][P:25]([OH:19])(=[O:20])[O:23][P:24]([OH:16])([OH:17])=[O:18])[O:22]2)[C:10]([OH:15])=[N:12][C:9]1=[NH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0