dTDP-4-oxo-2-deoxy-alpha-D-pentos-2-ene

Properties Image MNX_ID MNXM164748 reference chebi:190247 formula C15H20N2O14P2 global charge 0 mol weight 514.273 InChIKey VXHACDVTYBUZOH-WKSBVSIWSA-N InChI InChI=1S/C15H20N2O14P2/c1-7-4-17(15(22)16-14(7)21)12-2-9(19)11(29-12)6-28-32(23,24)31-33(25,26)30-13-3-8(18)10(20)5-27-13/h3-4,9,11-13,18-19H,2,5-6H2,1H3,(H,23,24)(H,25,26)(H,16,21,22)/t9-,11+,12+,13+/m0/s1 SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C=C(O)C(=O)CO3)O2)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C15H20N2O14P2/c1-7-4-17(15(22)16-14(7)21)12-2-9(19)11(29-12)6-28-32(23,24)31-33(25,26)30-13-3-8(18)10(20)5-27-13/h3-4,9,11-13,18-19H,2,5-6H2,1H3,(H,23,24)(H,25,26)(H,16,21,22)/t9-,11+,12+,13+/m0/s1 SMILES (mnx) [CH3:1][C:7]1=[CH:4][N:17]([C@H:12]2[CH2:2][C@H:9]([OH:19])[C@@H:11]([CH2:6][O:28][P:32]([OH:23])(=[O:24])[O:31][P:33]([OH:25])(=[O:26])[O:30][C@@H:13]3[CH:3]=[C:8]([OH:18])[C:10](=[O:20])[CH2:5][O:27]3)[O:29]2)[C:15](=[O:22])[N:16]=[C:14]1[OH:21]

Parent-child relations graph

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