N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine

Properties Image MNX_ID MNXM20009 reference chebi:167476 formula C19H31N2O13 global charge -1 mol weight 495.458 InChIKey SJKBAJLKHOPUHW-NNRGKNABSA-M InChI InChI=1S/C19H32N2O13/c1-6(17(28)29)31-16-12(21-8(3)25)19(33-9(4-22)13(16)26)34-15-10(5-23)32-18(30)11(14(15)27)20-7(2)24/h6,9-16,18-19,22-23,26-27,30H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/p-1/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18?,19+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C19H32N2O13/c1-6(17(28)29)31-16-12(21-8(3)25)19(33-9(4-22)13(16)26)34-15-10(5-23)32-18(30)11(14(15)27)20-7(2)24/h6,9-16,18-19,22-23,26-27,30H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18?,19+/m1/s1 SMILES (mnx) [CH3:1][C@H:6]([C:17](=[O:28])[OH:29])[O:31][C@@H:16]1[C@@H:12]([N:21]=[C:8]([CH3:3])[OH:25])[C@H:19]([O:34][C@@H:15]2[C@@H:10]([CH2:5][OH:23])[O:32][CH:18]([OH:30])[C@H:11]([N:20]=[C:7]([CH3:2])[OH:24])[C@H:14]2[OH:27])[O:33][C@H:9]([CH2:4][OH:22])[C@H:13]1[OH:26]

Parent-child relations graph

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