Description
IUPAC Name: sodium;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylate
InChI: InChI=1S/C23H39NO19.Na/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25;/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+;/m0./s1
InChIKey: LJNVKOGOHXWREM-MZZLGFSDSA-M
Canonical SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.[Na+]
Isomeric SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.[Na+]
Synonyms: 6′-N-ACETYLNEURAMIN-LACTOSE SODIUM SALT; 157574-76-0; Sodium 6′-sialyllactose; 6′-Sialyllactose sodium salt; G8H5UK3AKL; 6′-N-Acetylneuraminyl-D-lactose sodium salt; UNII-G8H5UK3AKL; 6′-Sialyllactose (sodium); …
Botanical Source: