Basic information
- Standard SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
CFDVGUXRLQWLJX-QGTNPELVSA-N- Molecular formula
- C20H35NO15
- Average molar mass
- 529.5 g/mol
Overview
Beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc is an amino trisaccharide consisting of N-acetylglucosamine having a fucosyl residue attached at the 4-position via an alpha-linkage and a galactosyl residue attached at the 3-position via a beta-linkage. It has a role as an epitope and an antigen. It is a glucosamine oligosaccharide and an amino trisaccharide.
Names & identifiers
- Preferred name
- beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-D-GlcpNAc
- IUPAC
- N-[(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Names & synonyms
CHEBI:62265beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAcalpha-L-fucopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranosebeta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-D-GlcpNAcalpha-L-fucopyranosyl-(1->4)-(beta-D-galactopyranosyl-(1->3))-2-acetamido-2-deoxy-D-glucopyranoseRefChem:619453GlyTouCan:G00047MOG00047MO56570-03-7CHEMBL3590185Galbeta1-3(Fucalpha1-4)GlcNAcGalbeta1-3[Fucalpha1-4]GlcNAc
Show more names
N-[(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamideLe(a)alpha-L-Fuc-(1->4)-[beta-D-Gal-(1->3)]-D-GlcNAcbeta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-D-GlcNAcalpha-L-Fucp-(1->4)-[beta-D-Galp-(1->3)]-D-GlcpNAcalpha-L-fucosyl-(1->4)-[beta-D-galactosyl-(1->3)]-N-acetyl-D-glucosaminebeta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-D-glucosamine6-deoxy-alpha-L-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranose
Database identifiers
- PubChem CID
- 22806751
- ChEMBL
CHEMBL3590185- ChEBI
CHEBI:62265- Nikkaji
- J2.260.750B
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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