beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-D-GlcpNAc

Properties Image MNX_ID MNXM1113570 reference chebi:147905 formula C22H38N2O16 global charge 0 mol weight 586.544 InChIKey UHXCBMGDLOQUHX-XSBRIFBRSA-N InChI InChI=1S/C22H38N2O16/c1-6(28)23-11-16(33)13(30)8(3-25)37-21(11)40-19-15(32)10(5-27)38-22(17(19)34)39-18-12(24-7(2)29)20(35)36-9(4-26)14(18)31/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19+,20?,21+,22+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C22H38N2O16/c1-6(28)23-11-16(33)13(30)8(3-25)37-21(11)40-19-15(32)10(5-27)38-22(17(19)34)39-18-12(24-7(2)29)20(35)36-9(4-26)14(18)31/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19+,20?,21+,22+/m1/s1 SMILES (mnx) [CH3:1][C:6](=[N:23][C@@H:11]1[C@@H:16]([OH:33])[C@H:13]([OH:30])[C@@H:8]([CH2:3][OH:25])[O:37][C@H:21]1[O:40][C@H:19]1[C@@H:15]([OH:32])[C@@H:10]([CH2:5][OH:27])[O:38][C@@H:22]([O:39][C@@H:18]2[C@@H:12]([N:24]=[C:7]([CH3:2])[OH:29])[CH:20]([OH:35])[O:36][C@H:9]([CH2:4][OH:26])[C@H:14]2[OH:31])[C@@H:17]1[OH:34])[OH:28]

Parent-child relations graph

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