an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl derivative

Properties Image MNX_ID MNXM734033 reference chebi:139596 formula C25H40N2O19* global charge -1 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[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]2O)[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C26H44N2O19/c1-8(32)27-14-10(34)4-26(25(40)41,46-21(14)16(36)11(35)5-29)47-22-18(38)13(7-31)44-24(19(22)39)45-20-15(28-9(2)33)23(42-3)43-12(6-30)17(20)37/h10-24,29-31,34-39H,4-7H2,1-3H3,(H,27,32)(H,28,33)(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:34])[CH2:4][C@@:26]([C:25](=[O:40])[OH:41])([O:47][C@H:22]2[C@@H:18]([OH:38])[C@@H:13]([CH2:7][OH:31])[O:44][C@@H:24]([O:45][C@@H:20]3[C@@H:15]([N:28]=[C:9]([CH3:2])[OH:33])[C@@H:23]([O:42][13CH3:3])[O:43][C@H:12]([CH2:6][OH:30])[C@@H:17]3[OH:37])[C@@H:19]2[OH:39])[O:46][C@H:21]1[C@@H:16]([C@@H:11]([CH2:5][OH:29])[OH:35])[OH:36])[OH:32]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1