CDP-L-ribitol

Properties Image MNX_ID MNXM1092685 reference chebi:57608 formula C14H23N3O15P2 global charge -2 mol weight 535.292 InChIKey DPJKHFICSGCNIR-HRENORGGSA-L InChI InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/p-2/t6-,7+,8+,10-,11+,12+,13+/m0/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][N:17]([C@H:13]2[C@H:12]([OH:23])[C@H:11]([OH:22])[C@@H:8]([CH2:5][O:30][P:34]([OH:27])(=[O:28])[O:32][P:33]([OH:25])(=[O:26])[O:29][CH2:4][C@H:7]([C@H:10]([C@H:6]([CH2:3][OH:18])[OH:19])[OH:21])[OH:20])[O:31]2)[C:14]([OH:24])=[N:16][C:9]1=[NH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 28 in models (compartimentalized) 4