CHEBI:62534
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular Identity
CHEBI:62534
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID: 53262307
Alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp is a branched amino pentasaccharide consisting of the trisaccharide beta-D-galactosyl-(13)-N-acetyl-beta-D-glucosaminyl-(13)-beta-D-galactose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3-positions respectively. It is a galactosamine oligosaccharide, a glucosamine oligosaccharide and an amino pentasaccharide.
2D Structure
Properties
C34H58N2O25
Molecular Formula
894.80
Molecular Weight
g/mol
894.3329
Exact Mass
Da
-8.5
XLogP
Drug-like (Lipinski: < 5)
424
TPSA
May have limited oral absorption
16
H-Bond Donors
25
H-Bond Acceptors
1420
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
CHEBI:62534alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranose2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-(alpha-L-fucopyranosyl-(1->2))-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosealpha-L-Fucp-(1->2)-(alpha-D-GalpNAc-(1->3))-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-GalpRefChem:936566GlyTouCan:G59682ALG59682ALALe(d)Fucalpha1->2(GalNAcalpha1->3)Galbeta1->3GlcNAcbeta1->3D-Galbeta2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosealpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Galalpha-L-fucosyl-(1->2)-[N-acetyl-alpha-D-galactosaminyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galctoseALedEpitope ID:149562
Data from PubChem (NCBI)
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