Lacto-N-biose

HCID 440994

基本情報

標準SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey: HMQPEDMEOBLSQB-RPHKZZMBSA-N
分子式: C14H25NO11
平均分子量: 383.35 g/mol

概要

Beta-D-Galp-(1->3)-D-GlcpNAc is an amino disaccharide consisting of beta-D-galactose linked via a (13)-glycosidic bond to N-acetyl-D-glucosamine. It has a role as an epitope. It is an amino disaccharide and a glucosamine oligosaccharide.

名称と識別子

優先名称: Lacto-N-biose
IUPAC: N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

名称と別名

Lacto-N-biosebeta-D-Gal-(1->3)-D-GlcNAcbeta-D-Galactopyranosyl-(1->3)-N-acetyl-D-glucosamineRefChem:621115GlyTouCan:G04616STG04616STGalbeta1,3GlcNAc489-52-1beta-D-Galp-(1->3)-D-GlcpNAcGalbeta1-3GlcNAcMFCD00036714N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

名称をさらに表示

CHEMBL4862340CHEBI:277072-Acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-D-glucopyranosebeta-D-galactsyl-(1->3)-N-acetyl-D-glucosamine2-Acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-D-galactose2-Acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-D-glucopyranosebeta-D-Galactosyl-(1-3)-N-acetylgalactosamine; Gal1-beta-3GalNAc; O-beta-D-Galactopyranosyl-(1-3)-N-acetylgalactosamine;N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

データベース識別子

PubChem CID: 440994
ChEMBL: CHEMBL4862340
ChEBI: CHEBI:27707
Nikkaji: J552.826G

物性

構造計算による物性

XLogP: -4.2
極性表面積: 198 Å²
水素結合供与体数: 8
水素結合受容体数: 11
回転可能結合数: 5
重原子数: 26
形式電荷: 0
複雑度: 480