CDP-4-dehydro-6-deoxy-alpha-D-glucose

Properties Image MNX_ID MNXM1370 reference chebi:138808 formula C15H21N3O15P2 global charge -2 mol weight 545.287 InChIKey PUBYMNIINUUJLL-JPHISPRKSA-L InChI InChI=1S/C15H23N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H2,16,17,24)/p-2/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1 SMILES C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O MNX internals InChI (mnx) InChI=1/C15H23N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H2,16,17,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1 SMILES (mnx) [CH3:1][C@@H:5]1[C:8](=[O:19])[C@H:10]([OH:21])[C@@H:12]([OH:23])[C@@H:14]([O:32][P:35]([OH:27])(=[O:28])[O:33][P:34]([OH:25])(=[O:26])[O:29][CH2:4][C@@H:6]2[C@@H:9]([OH:20])[C@@H:11]([OH:22])[C@H:13]([N:18]3[CH:3]=[CH:2][C:7](=[NH:16])[N:17]=[C:15]3[OH:24])[O:31]2)[O:30]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 3