dTDP-L-4-oxovancosamine

Properties Image MNX_ID MNXM5731 reference chebi:32334 formula C17H27N3O13P2 global charge 0 mol weight 543.359 InChIKey LXNLHPYBLNFMEH-VRLCQRPESA-N InChI InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,17-/m0/s1 SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@](C)(N)C(=O)[C@H](C)O3)O2)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,17-/m0/s1 SMILES (mnx) [CH3:1][C:8]1=[CH:6][N:20]([C@H:12]2[CH2:4][C@H:10]([OH:21])[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])([NH2:18])[C:14](=[O:22])[C@H:9]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:24])[N:19]=[C:15]1[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0