dTDP-alpha-D-mycaminose

Properties Image MNX_ID MNXM3983 reference chebi:63268 formula C18H30N3O14P2 global charge -1 mol weight 574.393 InChIKey IJJNPDQFXCRKOA-WHRNYZGVSA-M InChI InChI=1S/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/p-1/t9-,10+,11-,12-,13+,14-,15-,17-/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@@H](O)[C@H]([NH+](C)C)[C@H]3O)O2)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14-,15-,17-/m1/s1 SMILES (mnx) [CH3:1][C:8]1=[CH:6][N:21]([C@H:12]2[CH2:5][C@H:10]([OH:22])[C@@H:11]([CH2:7][O:31][P:36]([OH:27])(=[O:28])[O:35][P:37]([OH:29])(=[O:30])[O:34][C@@H:17]3[C@H:15]([OH:24])[C@@H:13]([N:20]([CH3:3])[CH3:4])[C@H:14]([OH:23])[C@@H:9]([CH3:2])[O:32]3)[O:33]2)[C:18](=[O:26])[N:19]=[C:16]1[OH:25]

Parent-child relations graph

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