基本情報
- CAS
81520-72-1- 標準SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O- InChIKey
BZBKTWJIYTYFBH-WVJDGYTOSA-N- 分子式
- C40H67N5O26
- 平均分子量
- 1,034 g/mol
- 単同位体質量
- 1,033.40742726
概要
Beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc is a linear amino pentasaccharide comprising five N-acetylglucosaminyl residues linked beta(14). It has a role as an epitope. It is a member of acetamides and an amino pentasaccharide.
名称と識別子
- 優先名称
- beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
- IUPAC
- N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
名称と別名
CHEBI:65124beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranoseRefChem:937472GlyTouCan:G07670VSG07670VS(GlcNAcbeta1-4)5betabeta-penta-N-acetylchitopentosebeta-D-GlcNAc-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAcN,N',N'',N''',N''''-Pentaacetyl chitopentaoseEpitope ID:423114penta-N-acetyl chitopentaose
名称をさらに表示
SCHEMBL30043177DTXSID40109800281520-72-1GlcNAcb1-4GlcNAcb1-4GlcNAcb1-4GlcNAcb1-4GlcNAcbQ27133672O-2-(Acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a4)-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranose
物性
構造計算による物性
- XLogP
- -11.2
- 極性表面積
- 471 Ų
- 水素結合供与体数
- 17
- 水素結合受容体数
- 26
- 回転可能結合数
- 18
- 重原子数
- 71
- 形式電荷
- 0
- 複雑度
- 1,790
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