4-deoxy-beta-D-gluc-4-enuronosyl-(1,4)-N-acetyl-D-galactosamine

Properties Image MNX_ID MNXM148658 reference metacycM:CPD-17755 formula C14H20NO11 global charge -1 mol weight 378.31 InChIKey URUDPLVSVSVLMS-SQXQUMBFSA-M InChI InChI=1S/C14H21NO11/c1-4(17)15-8-10(20)11(7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/p-1/t5-,7+,8+,9+,10+,11-,13?,14-/m0/s1 SMILES CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C14H21NO11/c1-4(17)15-8-10(20)11(7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11-,13?,14-/m0/s1 SMILES (mnx) [CH3:1][C:4](=[N:15][C@@H:8]1[C@@H:10]([OH:20])[C@@H:11]([O:26][C@H:14]2[C@H:9]([OH:19])[C@@H:5]([OH:18])[CH:2]=[C:6]([C:12](=[O:21])[OH:22])[O:25]2)[C@@H:7]([CH2:3][OH:16])[O:24][CH:13]1[OH:23])[OH:17]

Parent-child relations graph

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