dTDP-4-dehydro-3-C-methyl-2,6-dideoxy-alpha-D-glucose

Properties Image MNX_ID MNXM11454 reference metacycM:CPD-13958 formula C17H24N2O14P2 global charge -2 mol weight 542.327 InChIKey JOZTVKXGCLUNKC-XXXNSVIPSA-L InChI InChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/p-2/t9-,10+,11-,12-,13-,17+/m1/s1 SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@](C)(O)C(=O)[C@@H](C)O3)O2)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10+,11-,12-,13-,17+/m1/s1 SMILES (mnx) [CH3:1][C:8]1=[CH:6][N:19]([C@H:12]2[CH2:4][C@H:10]([OH:20])[C@@H:11]([CH2:7][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][C@@H:13]3[CH2:5][C@:17]([CH3:3])([OH:24])[C:14](=[O:21])[C@@H:9]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:23])[N:18]=[C:15]1[OH:22]

Parent-child relations graph

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