UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate

Properties Image MNX_ID MNXM4127 reference chebi:132115 formula C17H23N3O23P2S2 global charge -4 mol weight 763.451 InChIKey LPADIYKTUSHKJJ-ACMLXWNCSA-J InChI InChI=1S/C17H27N3O23P2S2/c1-6(21)18-10-12(24)14(42-47(34,35)36)8(5-38-46(31,32)33)40-16(10)41-45(29,30)43-44(27,28)37-4-7-11(23)13(25)15(39-7)20-3-2-9(22)19-17(20)26/h2-3,7-8,10-16,23-25H,4-5H2,1H3,(H,18,21)(H,27,28)(H,29,30)(H,19,22,26)(H,31,32,33)(H,34,35,36)/p-4/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O MNX internals InChI (mnx) InChI=1/C17H27N3O23P2S2/c1-6(21)18-10-12(24)14(42-47(34,35)36)8(5-38-46(31,32)33)40-16(10)41-45(29,30)43-44(27,28)37-4-7-11(23)13(25)15(39-7)20-3-2-9(22)19-17(20)26/h2-3,7-8,10-16,23-25H,4-5H2,1H3,(H,18,21)(H,27,28)(H,29,30)(H,19,22,26)(H,31,32,33)(H,34,35,36)/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1 SMILES (mnx) [CH3:1][C:6](=[N:18][C@@H:10]1[C@@H:12]([OH:24])[C@@H:14]([O:42][S:47]([OH:34])(=[O:35])=[O:36])[C@@H:8]([CH2:5][O:38][S:46]([OH:31])(=[O:32])=[O:33])[O:40][C@@H:16]1[O:41][P:45]([OH:29])(=[O:30])[O:43][P:44]([OH:27])(=[O:28])[O:37][CH2:4][C@@H:7]1[C@@H:11]([OH:23])[C@@H:13]([OH:25])[C@H:15]([N:20]2[CH:3]=[CH:2][C:9]([OH:22])=[N:19][C:17]2=[O:26])[O:39]1)[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0