4-methylumbelliferyl-phospho-beta-D-glucopyranoside

Properties Image MNX_ID MNXM1132173 reference metacycM:CPD-22695 formula C17H19O10P global charge -2 mol weight 414.303 InChIKey NQFIPKOWDGSWJB-OWVPNWLGSA-L InChI InChI=1S/C17H21O10P/c1-8-4-14(18)27-12-6-10(2-3-11(8)12)26-13-5-9(7-25-28(22,23)24)15(19)17(21)16(13)20/h2-4,6,9,13,15-17,19-21H,5,7H2,1H3,(H2,22,23,24)/p-2/t9-,13-,15-,16+,17+/m1/s1 SMILES CC1=CC(=O)OC2=C1C=CC(O[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)=C2 MNX internals InChI (mnx) InChI=1/C17H21O10P/c1-8-4-14(18)27-12-6-10(2-3-11(8)12)26-13-5-9(7-25-28(22,23)24)15(19)17(21)16(13)20/h2-4,6,9,13,15-17,19-21H,5,7H2,1H3,(H2,22,23,24)/t9-,13-,15-,16+,17+/m1/s1 SMILES (mnx) [CH3:1][C:8]1=[CH:4][C:14](=[O:18])[O:27][C:12]2=[C:11]1[CH:3]=[CH:2][C:10]([O:26][C@@H:13]1[CH2:5][C@H:9]([CH2:7][O:25][P:28]([OH:22])([OH:23])=[O:24])[C@@H:15]([OH:19])[C@H:17]([OH:21])[C@H:16]1[OH:20])=[CH:6]2

Parent-child relations graph

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