基本情報
- CAS
50787-09-2- 標準SMILES
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H]1O- InChIKey
HMQPEDMEOBLSQB-RCBHQUQDSA-N- 分子式
- C14H25NO11
- 平均分子量
- 383.35 g/mol
- 単同位体質量
- 383.14276061
概要
Beta-D-Galp-(1->3)-alpha-D-GlcpNAc is a beta-D-Galp-(13)-D-GlcpNAc in which the N-acetylaminoglucose moiety has alpha configuration. It is functionally related to a beta-D-galactose and a N-acetyl-alpha-D-glucosamine.
名称と識別子
- 優先名称
- lacto-N-biose I
- IUPAC
- N-[(2S,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
N-[(2S,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]acetamideN-((2S,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)acetamideGlyTouCan:G21469TERefChem:1048367G21469TElacto-N-biose I2-Acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-D-glucopyranoseGal(b1-3)a-GlcNAc2-Acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-D-glucopyranoseSCHEMBL5518959CHEBI:145593beta-delta-Gal-(1->3)-delta-GlcNAc
名称をさらに表示
beta-D-Galp-(1->3)-alpha-D-GlcpNAcN-[(2S,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]acetamideO-beta-D-Galactopyranosyl-(1->3)-N-acetylglucosamine2-acetamido-2-deoxy-3-O-b-D-galactopyranosyl-D-glucoseO-beta-delta-Galactopyranosyl-(1->3)-N-acetylglucosaminebeta-delta-Galactopyranosyl-(1->3)-N-acetyl-delta-glucosamine2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucopyranose2-acetamido-2-deoxy-3-O-beta-delta-galactopyranosyl-delta-glucose
データベース識別子
物性
構造計算による物性
- XLogP
- -4.2
- 極性表面積
- 198 Ų
- 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
実験および物理化学的性質
Physical DescriptionSolid
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…