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Home Other Building Blocks ASIALOGANGLIOSIDE-GM2

ASIALOGANGLIOSIDE-GM2

CAS No.:
35960-33-9
Catalog Number:
AG00BYFN
Molecular Formula:
C56H104N2O18
Molecular Weight:
1093.4276
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Product Description
Catalog Number:
AG00BYFN
Chemical Name:
ASIALOGANGLIOSIDE-GM2
CAS Number:
35960-33-9
Molecular Formula:
C56H104N2O18
Molecular Weight:
1093.4276
IUPAC Name:
N-[(E,2R,3S)-1-[5-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
InChI:
InChI=1S/C56H104N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h30,32,39-43,45-56,59-61,63,65-70H,4-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b32-30+/t39-,40+,41?,42?,43?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?/m1/s1
InChI Key:
FOCMISOLVPZNSV-CANPYCKCSA-N
SMILES:
CCCCCCCCCCCCC/C=C/[C@H]([C@@H](NC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O)O
Properties
Complexity:
1520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Exact Mass:
1092.728g/mol
Formal Charge:
0
Heavy Atom Count:
76  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
1093.444g/mol
Monoisotopic Mass:
1092.728g/mol
Rotatable Bond Count:
42  
Topological Polar Surface Area:
316A^2
Undefined Atom Stereocenter Count:
15  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  
Literature
Title Journal
Erythrocyte and porcine intestinal glycosphingolipids recognized by F4 fimbriae of enterotoxigenic Escherichia coli. PloS one 20110101
Neutral glycosphingolipids in human blood: a precise mass spectrometry analysis with special reference to lipoprotein-associated Shiga toxin receptors. Journal of lipid research 20100801
Imaging MALDI mass spectrometry using an oscillating capillary nebulizer matrix coating system and its application to analysis of lipids in brain from a mouse model of Tay-Sachs/Sandhoff disease. Analytical chemistry 20080415
Synthesis of reference standards to enable single cell metabolomic studies of tetramethylrhodamine-labeled ganglioside GM1. Carbohydrate research 20070226
Oligosaccharide receptor mimics inhibit Legionella pneumophila attachment to human respiratory epithelial cells. Microbial pathogenesis 20040201
Binding of Bifidobacterium bifidum and Lactobacillus reuteri to the carbohydrate moieties of intestinal glycolipids recognized by peanut agglutinin. International journal of food microbiology 20040201
Properties