an N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-R

Properties Image MNX_ID MNXM167020 reference metacycM:CPD-16483 formula C25H40N2O19* global charge -1 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[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)43-7-13-17(36)19(38)20(39)24(45-13)46-21-12(6-30)44-23(42-3)15(18(21)37)28-9(2)32/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:17]([OH:36])[C@H:19]([OH:38])[C@@H:20]([OH:39])[C@H:24]([O:46][C@@H:21]3[C@@H:12]([CH2:6][OH:30])[O:44][C@@H:23]([O:42][13CH3:3])[C@H:15]([N:28]=[C:9]([CH3:2])[OH:32])[C@H:18]3[OH:37])[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