O(3)-{beta-D-galactosyl-(1->3)-[6-O-sulfo-N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue

Properties Image MNX_ID MNXM1133701 reference chebi:176493 formula C26H42N3O20S*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@H](C([*])=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C28H49N3O20S/c1-9(33)16(29-5)10(2)47-27-18(31-12(4)35)25(51-28-24(41)23(40)19(36)13(6-32)48-28)21(38)14(50-27)7-45-26-17(30-11(3)34)22(39)20(37)15(49-26)8-46-52(42,43)44/h10,13-29,32,36-41H,6-8H2,1-5H3,(H,30,34)(H,31,35)(H,42,43,44)/t10-,13-,14-,15-,16-,17-,18-,19+,20-,21+,22-,23+,24-,25-,26-,27+,28+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:9]([C@H:16]([C@@H:10]([CH3:2])[O:47][C@@H:27]1[C@H:18]([N:31]=[C:12]([CH3:4])[OH:35])[C@@H:25]([O:51][C@H:28]2[C@H:24]([OH:41])[C@@H:23]([OH:40])[C@@H:19]([OH:36])[C@@H:13]([CH2:6][OH:32])[O:48]2)[C@@H:21]([OH:38])[C@@H:14]([CH2:7][O:45][C@H:26]2[C@H:17]([N:30]=[C:11]([CH3:3])[OH:34])[C@@H:22]([OH:39])[C@H:20]([OH:37])[C@@H:15]([CH2:8][O:46][S:52]([OH:42])(=[O:43])=[O:44])[O:49]2)[O:50]1)[NH:29][13CH3:5])=[O:33]

Parent-child relations graph

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