UDP-2-acetamido-2-deoxy-alpha-D-galacturonate

Properties Image MNX_ID MNXM114385 reference chebi:231899 formula C17H22N3O18P2 global charge -3 mol weight 618.314 InChIKey DZOGQXKQLXAPND-ALERELDYSA-K InChI InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/p-3/t6-,8-,9-,10-,11-,12-,13+,14-,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](C(=O)[O-])[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11-,12-,13+,14-,16-/m1/s1 SMILES (mnx) [CH3:1][C:5](=[N:18][C@@H:8]1[C@@H:10]([OH:24])[C@@H:11]([OH:25])[C@@H:13]([C:15](=[O:27])[OH:28])[O:36][C@@H:16]1[O:37][P:40]([OH:32])(=[O:33])[O:38][P:39]([OH:30])(=[O:31])[O:34][CH2:4][C@@H:6]1[C@@H:9]([OH:23])[C@@H:12]([OH:26])[C@H:14]([N:20]2[CH:3]=[CH:2][C:7]([OH:22])=[N:19][C:17]2=[O:29])[O:35]1)[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0