acarbose 7(IV)-phosphate

Properties Image MNX_ID MNXM146521 reference chebi:84975 formula C25H43NO21P global charge -1 mol weight 724.579 InChIKey VXXDSQWLTKKGLO-UGEKTDRHSA-M InChI InChI=1S/C25H44NO21P/c1-6-11(26-8-2-7(5-42-48(39,40)41)12(29)15(32)13(8)30)14(31)19(36)24(43-6)46-22-10(4-28)45-25(20(37)17(22)34)47-21-9(3-27)44-23(38)18(35)16(21)33/h2,6,8-38H,3-5H2,1H3,(H2,39,40,41)/p-1/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 SMILES C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C25H44NO21P/c1-6-11(26-8-2-7(5-42-48(39,40)41)12(29)15(32)13(8)30)14(31)19(36)24(43-6)46-22-10(4-28)45-25(20(37)17(22)34)47-21-9(3-27)44-23(38)18(35)16(21)33/h2,6,8-38H,3-5H2,1H3,(H2,39,40,41)/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 SMILES (mnx) [CH3:1][C@@H:6]1[C@@H:11]([NH:26][C@H:8]2[CH:2]=[C:7]([CH2:5][O:42][P:48]([OH:39])([OH:40])=[O:41])[C@@H:12]([OH:29])[C@H:15]([OH:32])[C@H:13]2[OH:30])[C@H:14]([OH:31])[C@@H:19]([OH:36])[C@@H:24]([O:46][C@@H:22]2[C@@H:10]([CH2:4][OH:28])[O:45][C@H:25]([O:47][C@@H:21]3[C@@H:9]([CH2:3][OH:27])[O:44][CH:23]([OH:38])[C@H:18]([OH:35])[C@H:16]3[OH:33])[C@H:20]([OH:37])[C@H:17]2[OH:34])[O:43]1

Parent-child relations graph

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