beta-D-galactosyl-(1->3)-[(2->6)-N-acetyl-alpha-neuraminyl]-(N-acetyl-D-galactosaminyl)-R

Properties Image MNX_ID MNXM103077 reference metacycM:CPD-16485 formula C25H40N2O19* global charge -1 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1O[C@H](CO[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[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/C26H44N2O19/c1-8(31)27-14-10(33)4-26(25(40)41,47-22(14)16(35)11(34)5-29)43-7-13-18(37)21(15(28-9(2)32)23(42-3)45-13)46-24-20(39)19(38)17(36)12(6-30)44-24/h10-24,29-30,33-39H,4-7H2,1-3H3,(H,27,31)(H,28,32)(H,40,41)/t10-,11+,12+,13+,14+,15+,16+,17-,18-,19-,20+,21+,22+,23+,24-,26+/m0/s1/i3+1 SMILES (mnx) [CH3:1][C:8](=[N:27][C@@H:14]1[C@@H:10]([OH:33])[CH2:4][C@@:26]([C:25](=[O:40])[OH:41])([O:43][CH2:7][C@@H:13]2[C@H:18]([OH:37])[C@H:21]([O:46][C@H:24]3[C@H:20]([OH:39])[C@@H:19]([OH:38])[C@@H:17]([OH:36])[C@@H:12]([CH2:6][OH:30])[O:44]3)[C@@H:15]([N:28]=[C:9]([CH3:2])[OH:32])[C@H:23]([O:42][13CH3:3])[O:45]2)[O:47][C@H:22]1[C@@H:16]([C@@H:11]([CH2:5][OH:29])[OH:34])[OH:35])[OH:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0