beta-D-Manp-(1->4)-alpha-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc

Properties Image MNX_ID MNXM1112998 reference chebi:147070 formula C22H38N2O16 global charge 0 mol weight 586.544 InChIKey OCPQLCXSCTTXMX-AECOBHRFSA-N InChI InChI=1S/C22H38N2O16/c1-6(28)23-11-14(31)18(9(4-26)36-20(11)35)39-21-12(24-7(2)29)15(32)19(10(5-27)38-21)40-22-17(34)16(33)13(30)8(3-25)37-22/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](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H]1O MNX internals InChI (mnx) InChI=1/C22H38N2O16/c1-6(28)23-11-14(31)18(9(4-26)36-20(11)35)39-21-12(24-7(2)29)15(32)19(10(5-27)38-21)40-22-17(34)16(33)13(30)8(3-25)37-22/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:14]([OH:31])[C@H:18]([O:39][C@@H:21]2[C@H:12]([N:24]=[C:7]([CH3:2])[OH:29])[C@@H:15]([OH:32])[C@H:19]([O:40][C@H:22]3[C@@H:17]([OH:34])[C@@H:16]([OH:33])[C@H:13]([OH:30])[C@@H:8]([CH2:3][OH:25])[O:37]3)[C@@H:10]([CH2:5][OH:27])[O:38]2)[C@@H:9]([CH2:4][OH:26])[O:36][C@@H:20]1[OH:35])[OH:28]

Parent-child relations graph

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