dTDP-4-dehydro-6-deoxy-alpha-D-allose

Properties Image MNX_ID MNXM7334 reference chebi:76253 formula C16H22N2O15P2 global charge -2 mol weight 544.299 InChIKey PSXWNITXWWECNY-MCPUFDOLSA-L InChI InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8+,9-,10-,12-,13-,15-/m1/s1 SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C)C(=O)[C@@H](O)[C@H]3O)O2)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12-,13-,15-/m1/s1 SMILES (mnx) [CH3:1][C:6]1=[CH:4][N:18]([C@H:10]2[CH2:3][C@H:8]([OH:19])[C@@H:9]([CH2:5][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][C@@H:15]3[C@H:13]([OH:22])[C@H:12]([OH:21])[C:11](=[O:20])[C@@H:7]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:24])[N:17]=[C:14]1[OH:23]

Parent-child relations graph

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