beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc

Properties Image MNX_ID MNXM103106 reference chebi:71055 formula C28H48N2O21 global charge 0 mol weight 748.685 InChIKey SHDOZNFWTUTHCI-MSPSSKNOSA-N InChI InChI=1S/C28H48N2O21/c1-7(35)29-13-18(40)22(49-27-20(42)19(41)15(37)9(3-31)46-27)12(6-34)48-26(13)51-24-17(39)11(5-33)47-28(21(24)43)50-23-14(30-8(2)36)25(44)45-10(4-32)16(23)38/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16-,17+,18-,19+,20-,21-,22-,23-,24+,25-,26+,27+,28+/m1/s1 SMILES CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C28H48N2O21/c1-7(35)29-13-18(40)22(49-27-20(42)19(41)15(37)9(3-31)46-27)12(6-34)48-26(13)51-24-17(39)11(5-33)47-28(21(24)43)50-23-14(30-8(2)36)25(44)45-10(4-32)16(23)38/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16-,17+,18-,19+,20-,21-,22-,23-,24+,25-,26+,27+,28+/m1/s1 SMILES (mnx) [CH3:1][C:7](=[N:29][C@@H:13]1[C@@H:18]([OH:40])[C@H:22]([O:49][C@H:27]2[C@H:20]([OH:42])[C@@H:19]([OH:41])[C@@H:15]([OH:37])[C@@H:9]([CH2:3][OH:31])[O:46]2)[C@@H:12]([CH2:6][OH:34])[O:48][C@H:26]1[O:51][C@H:24]1[C@@H:17]([OH:39])[C@@H:11]([CH2:5][OH:33])[O:47][C@@H:28]([O:50][C@@H:23]2[C@@H:14]([N:30]=[C:8]([CH3:2])[OH:36])[C@H:25]([OH:44])[O:45][C@H:10]([CH2:4][OH:32])[C@H:16]2[OH:38])[C@@H:21]1[OH:43])[OH:35]

Parent-child relations graph

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