CDP-1L-myo-inositol

Properties Image MNX_ID MNXM2648 reference chebi:62573 formula C15H23N3O16P2 global charge -2 mol weight 563.302 InChIKey FWZKVMBRYZSGFS-WRUQXNMMSA-L InChI InChI=1S/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/p-2/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][N:18]([C@H:14]2[C@H:12]([OH:25])[C@H:6]([OH:19])[C@@H:4]([CH2:3][O:31][P:35]([OH:27])(=[O:28])[O:34][P:36]([OH:29])(=[O:30])[O:33][C@@H:13]3[C@@H:10]([OH:23])[C@H:8]([OH:21])[C@@H:7]([OH:20])[C@H:9]([OH:22])[C@@H:11]3[OH:24])[O:32]2)[C:15]([OH:26])=[N:17][C:5]1=[NH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 4