a 3-O-[beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl]-L-seryl-[protein]

Properties Image MNX_ID MNXM18007 reference metacycM:GalNAc-GlcA-Gal-Gal-Xyl-Proteins formula C34H53N2O27*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CO[C@@H]1OC[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](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)C([*])=O MNX internals InChI (mnx) InChI=1/C36H60N2O27/c1-9(42)11(37-3)7-56-33-23(50)18(45)15(8-57-33)61-35-25(52)27(19(46)13(5-40)59-35)63-36-26(53)28(20(47)14(6-41)60-36)62-34-24(51)22(49)29(30(65-34)31(54)55)64-32-16(38-10(2)43)21(48)17(44)12(4-39)58-32/h11-30,32-37,39-41,44-53H,4-8H2,1-3H3,(H,38,43)(H,54,55)/t11-,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,32-,33+,34+,35-,36-/m0/s1/i1+1,3+1 SMILES (mnx) [13CH3:1][C:9]([C@H:11]([CH2:7][O:56][C@H:33]1[C@H:23]([OH:50])[C@@H:18]([OH:45])[C@H:15]([O:61][C@H:35]2[C@H:25]([OH:52])[C@@H:27]([O:63][C@H:36]3[C@H:26]([OH:53])[C@@H:28]([O:62][C@H:34]4[C@H:24]([OH:51])[C@@H:22]([OH:49])[C@H:29]([O:64][C@H:32]5[C@H:16]([N:38]=[C:10]([CH3:2])[OH:43])[C@@H:21]([OH:48])[C@@H:17]([OH:44])[C@@H:12]([CH2:4][OH:39])[O:58]5)[C@@H:30]([C:31](=[O:54])[OH:55])[O:65]4)[C@@H:20]([OH:47])[C@@H:14]([CH2:6][OH:41])[O:60]3)[C@@H:19]([OH:46])[C@@H:13]([CH2:5][OH:40])[O:59]2)[CH2:8][O:57]1)[NH:37][13CH3:3])=[O:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0