beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-D-GlcpNAc

HCID 22806751

基本情報

標準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
分子式: C20H35NO15
平均分子量: 529.5 g/mol

概要

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.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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

データベース識別子

PubChem CID: 22806751
ChEMBL: CHEMBL3590185
ChEBI: CHEBI:62265
Nikkaji: J2.260.750B

物性

構造計算による物性

XLogP: -5.8
極性表面積: 257 Å²
水素結合供与体数: 10
水素結合受容体数: 15
回転可能結合数: 7
重原子数: 36
形式電荷: 0
複雑度: 731