dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran

Properties Image MNX_ID MNXM5141 reference chebi:29716 formula C16H22N2O14P2 global charge 0 mol weight 528.3 InChIKey QWDIAMULKXKCNE-MAMCYAMTSA-N InChI InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,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)[C@H](C)O3)O2)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,11+,12+,13+/m0/s1 SMILES (mnx) [CH3:1][C:7]1=[CH:5][N:18]([C@H:12]2[CH2:3][C@H:9]([OH:19])[C@@H:11]([CH2:6][O:28][P:33]([OH:24])(=[O:25])[O:32][P:34]([OH:26])(=[O:27])[O:31][C@@H:13]3[CH:4]=[C:10]([OH:20])[C:14](=[O:21])[C@H:8]([CH3:2])[O:29]3)[O:30]2)[C:16](=[O:23])[N:17]=[C:15]1[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0