1,4-β-cellohexaose

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4-β-cellohexaose
• 英文别名: laminarin hexaose；cellohexaaose；cellohexaose；beta-D-cellohexaose；(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₃₆H₆₂O₃₁
• 分子量: 990.87
• InChiKey: OCIBBXPLUVYKCH-FYTDUCIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.3
• 重原子数：
  67
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  506
• 氢给体数：
  20
• 氢受体数：
  31

反应信息

• 作为反应物：
  描述：

  1,4-β-cellohexaose 生成 1,6-脱水-B-D-纤维二糖
  参考文献：
  名称：

  纤维素快速热解的质谱研究

  摘要：

  使用快速热解探针/线性四极杆离子阱质谱仪组合来研究纤维素、纤维二糖、纤维三糖、纤维四糖、纤维五糖和纤维六糖以及纤维二糖的主要快速热解产物（那些首先离开热解表面的产物） 、纤维三聚糖和纤维戊聚糖，在 600°C。如前所述，在低聚糖和纤维素中发现了具有不同支化率的类似产品。然而，对于纤维三聚糖（和纤维戊聚糖）和纤维素，测量了具有相似支化率的相同产品（除了两个）。该结果表明，纤维三聚糖是研究纤维素快速热解的极好小分子替代物，并且纤维素的大多数快速热解产物并非来自还原端。

  DOI：

  10.1255/ejms.1335

文献信息

• Direct synthesis of 1,6-anhydro sugars from unprotected glycopyranoses by using 2-chloro-1,3-dimethylimidazolinium chloride
  作者：Tomonari Tanaka、Wei Chun Huang、Masato Noguchi、Atsushi Kobayashi、Shin-ichiro Shoda

  DOI：10.1016/j.tetlet.2009.02.171

  日期：2009.5

  Various 1,6-anhydro sugars have been synthesized directly from the corresponding unprotected glycopyranoses in excellent yields by using 2-chloro-1,3-dimethylimidazolinium chloride (DMC) as a dehydrative condensing agent. The reactions took place smoothly under mild reaction conditions in aqueous media. The present method would be a practical tool for synthesis of 1,6-anhydro derivatives of mono-saccharides, linear-oligosaccharides, and branched-oligosaccharides. (C) 2009 Elsevier Ltd. All rights reserved.
• Purification and characterization of a novel GH1 beta-glucosidase from Jeotgalibacillus malaysiensis
  作者：Kok Jun Liew、Lily Lim、Hui Ying Woo、Kok-Gan Chan、Mohd Shahir Shamsir、Kian Mau Goh

  DOI：10.1016/j.ijbiomac.2018.04.156

  日期：2018.8

  Beta-glucosidase (BGL) is an important industrial enzyme for food, waste and biofuel processing.Jeotgalibacillus is an understudied halophilic genus, and no beta-glucosidase from this genus has been reported. A novel beta-glucosidase gene (1344 bp) from J. malaysiensis DSM 28777(T) was cloned and expressed in E. coli. The recombinant protein, referred to as BgID5, consists of a total 447 amino acids. BgID5 purified using a Ni-NTA column has an apparent molecular mass of 52 kDa It achieved the highest activity at pH 7 and 65 degrees C. The activity and stability were increased when CaCl2 was supplemented to the enzyme. The enzyme efficiently hydrolyzed salicin and (1 -> 4)-beta-glycosidic linkages such as in cellobiose, cellotriose, cellotetraose, cellopentose, and cellohexanose. Similar to many BGLs, BgID5 was not active towards polysaccharides such as Avicel, carboxymethyl cellulose, Sigmacell cellulose 101, alpha-cellulose and xylan. When BgID5 blended with Cellic (R) Ctec2, the total sugars saccharified from oil palm empty fruit bunches (OPEFB) was enhanced by 4.5%. Based on sequence signatures and tree analyses, BgID5 belongs to the Glycoside Hydrolase family 1. This enzyme is a novel beta-glucosidase attributable to its relatively low sequence similarity with currently known beta-glucosidases, where the closest characterized enzyme is the DT-Bgl from Anoxybacillus sp. DT3-1. (C) 2018 Elsevier B.V. All rights reserved.
• Mass Spectrometric Studies of Fast Pyrolysis of Cellulose
  作者：John C. Degenstein、Matt Hurt、Priya Murria、McKay Easton、Harshavardhan Choudhari、Linan Yang、James Riedeman、Mark S. Carlsen、John J. Nash、Rakesh Agrawal、W. Nicholas Delgass、Fabio H. Ribeiro、Hilkka I. Kenttämaa

  DOI：10.1255/ejms.1335

  日期：2015.6

  A fast pyrolysis probe/linear quadrupole ion trap mass spectrometer combination was used to study the primary fast pyrolysis products (those that first leave the hot pyrolysis surface) of cellulose, cellobiose, cellotriose, cellotetraose, cellopentaose, and cellohexaose, as well as of cellobiosan, cellotriosan, and cellopentosan, at 600°C. Similar products with different branching ratios were found

  使用快速热解探针/线性四极杆离子阱质谱仪组合来研究纤维素、纤维二糖、纤维三糖、纤维四糖、纤维五糖和纤维六糖以及纤维二糖的主要快速热解产物（那些首先离开热解表面的产物） 、纤维三聚糖和纤维戊聚糖，在 600°C。如前所述，在低聚糖和纤维素中发现了具有不同支化率的类似产品。然而，对于纤维三聚糖（和纤维戊聚糖）和纤维素，测量了具有相似支化率的相同产品（除了两个）。该结果表明，纤维三聚糖是研究纤维素快速热解的极好小分子替代物，并且纤维素的大多数快速热解产物并非来自还原端。