alpha-D-GlcpNAc-(1->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

Properties Image MNX_ID MNXM102532 reference chebi:71323 formula C22H38N2O16 global charge 0 mol weight 586.544 InChIKey ILSGXQJDFRRBKD-BFOOFDDQSA-N InChI InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)19(9(4-26)37-20(11)35)40-22-18(34)17(33)14(30)10(39-22)5-36-21-12(24-7(2)28)15(31)13(29)8(3-25)38-21/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/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](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C22H38N2O16/c1-6(27)23-11-16(32)19(9(4-26)37-20(11)35)40-22-18(34)17(33)14(30)10(39-22)5-36-21-12(24-7(2)28)15(31)13(29)8(3-25)38-21/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/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:32])[C@H:19]([O:40][C@H:22]2[C@H:18]([OH:34])[C@@H:17]([OH:33])[C@@H:14]([OH:30])[C@@H:10]([CH2:5][O:36][C@@H:21]3[C@H:12]([N:24]=[C:7]([CH3:2])[OH:28])[C@@H:15]([OH:31])[C@H:13]([OH:29])[C@@H:8]([CH2:3][OH:25])[O:38]3)[O:39]2)[C@@H:9]([CH2:4][OH:26])[O:37][C@H:20]1[OH:35])[OH:27]

Parent-child relations graph

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