N-acetyl-beta-D-glucosaminyl-(1->4)-1,6-anhydro-N-acetyl-beta-D-muramate

Properties Image MNX_ID MNXM12360 reference chebi:195209 formula C19H29N2O12 global charge -1 mol weight 477.443 InChIKey MWWQKONGFKUAEK-STFZFCBQSA-M InChI InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/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](C)C(=O)[O-])[C@@H](NC(C)=O)[C@@H]3OC[C@H]2O3)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1 SMILES (mnx) [CH3:1][C@H:6]([C:17](=[O:27])[OH:28])[O:30][C@@H:16]1[C@@H:12]([N:21]=[C:8]([CH3:3])[OH:24])[C@@H:18]2[O:29][CH2:5][C@H:10]([C@H:15]1[O:33][C@H:19]1[C@H:11]([N:20]=[C:7]([CH3:2])[OH:23])[C@@H:14]([OH:26])[C@H:13]([OH:25])[C@@H:9]([CH2:4][OH:22])[O:31]1)[O:32]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0