LS-Tetrasaccharide b

5-acetamido-2-[[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Also Known As: LS-Tetrasaccharide b|LS-Tetrasaccharide a|LST b|Sialyllacto-N-tetraose b|LS-Tetrasaccharide b (LSTb)|LS-Tetrasaccharide b, from human milk|N-Acetylneuramin-lacto-N-tetraose b sodium salt|5-acetamido-2-[[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid|Gal|?1, 3GlcNAc(| cent2, 6Neu5Ac)|?1, 3Gal|?1, 4Glc||A-NeuNAc-(2 inverted exclamation marku6)-(|A-D-Gal-[1 inverted exclamation marku3])-|A-D-GlcNAc-(1 inverted exclamation marku3)-|A-D-Gal-(1 inverted exclamation marku4)-Glc

Molecular Formula	C37H62N2O29
Molecular Weight	998.3438 g/mol
LogP	-12.5886
Topological Polar Surface Area	510.09 Ų
Hydrogen Bond Donors	19
Hydrogen Bond Acceptors	28
Rotatable Bonds	22
Exact Mass	998.3438
Monoisotopic Mass	998.3438
Heavy Atoms	68
Complexity	1636.7789

Chemical Identifiers

CAS Number	64003-53-8
SMILES	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OC(C(CO)O)C(C(C=O)O)O)CO)O)NC(=O)C)OC4C(C(C(C(O4)CO)O)O)O)O)O