S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylprop-2-enethioate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylprop-2-enethioate
• 化学式: C₂₅H₄₀N₇O₁₇P₃S
• 分子量: 835.6
• InChiKey: NPALUEYCDZWBOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  53
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• METHODS (AMACR)
  申请人：UNIVERSITY OF BATH

  公开号：US20170176436A1

  公开（公告）日：2017-06-22

  A method of measuring α-methylacyl-CoA racemase (AMACR) activity in a sample is described comprising the steps of: (i) providing a sample; (ii) contacting said sample with a substrate compound that undergoes elimination of hydrogen and a leaving group catalysed by said AMACR to produce a product compound having an additional carbon-carbon double bond; and (iii) measuring the amount of said leaving group and/or of said product compound and/or of unreacted substrate compound. Also provided are methods of diagnosis and medical imaging, in particular for use in diagnosing prostate cancer. Also provided are substrate compounds of Formula 1 for use in the methods described herein.

  描述了一种测量样本中α-甲基酰辅酶A羧化酶（AMACR）活性的方法，包括以下步骤：（i）提供样本；（ii）将所述样本与底物化合物接触，该化合物经过由所述AMACR催化的氢和一个离去基团的消除产生具有额外碳-碳双键的产物化合物；以及（iii）测量所述离去基团和/或所述产物化合物和/或未反应的底物化合物的量。还提供了诊断和医学成像的方法，特别用于诊断前列腺癌。还提供了用于上述方法的Formula 1的底物化合物。
• Method for producing methacrylyl-CoA
  申请人：Mitsubishi Chemical Corporation

  公开号：US10323264B2

  公开（公告）日：2019-06-18

  The invention provides a method for producing methacrylyl-CoA that converts 3-hydroxyisobutyryl-CoA into methacrylyl-CoA using an enzyme having dehydratase activity as a method for producing methacrylyl-CoA using an enzyme catalyst. In this production method, conversion rate of 3-hydroxyisobutyryl-CoA into methacrylyl-CoA by the enzyme having dehydratase activity is 50% or higher. In this production method, furthermore, the enzyme having dehydratase activity derives from a microorganism belonging to the genus Pseudomonas or Rhodococcus.

  本发明提供了一种生产甲基丙烯酰-CoA 的方法，该方法利用一种具有脱水酶活性的酶将 3-羟基异丁酰-CoA 转化为甲基丙烯酰-CoA，作为一种利用酶催化剂生产甲基丙烯酰-CoA 的方法。在这种生产方法中，具有脱水酶活性的酶将 3-羟基异丁酰-CoA 转化为甲基丙烯酰-CoA 的转化率为 50%或更高。此外，在这种生产方法中，具有脱水酶活性的酶来源于假单胞菌属或红球菌属的微生物。
• METHOD FOR PRODUCING METHACRYLYL-COA
  申请人：MITSUBISHI RAYON CO., LTD.

  公开号：US20160145665A1

  公开（公告）日：2016-05-26

  The invention provides a method for producing methacrylyl-CoA that converts 3-hydroxyisobutyryl-CoA into methacrylyl-CoA using an enzyme having dehydratase activity as a method for producing methacrylyl-CoA using an enzyme catalyst. In this production method, conversion rate of 3-hydroxyisobutyryl-CoA into methacrylyl-CoA by the enzyme having dehydratase activity is 50% or higher. In this production method, furthermore, the enzyme having dehydratase activity derives from a microorganism belonging to the genus Pseudomonas or Rhodococcus.
• METHOD FOR PRODUCING METHACRYLIC ACID ESTER AND NOVEL METHACRYLIC ACID ESTER SYNTHETASE
  申请人：PUBLIC UNIVERSITY CORPORATION TOYAMA PREFECTURAL UNIVERSITY

  公开号：US20170022525A1

  公开（公告）日：2017-01-26

  Provided is a method for producing a methacrylic acid ester using a biocatalyst, said method comprising a step of reacting an alcohol or a phenol with methacrylyl-CoA in the presence of an alcohol acyltransferase originated from a plant selected from the group consisting of a plant belonging to the genus Osmanthus, a plant belonging to the genus Vitis, a plant belonging to the genus Citrus, a plant belonging to the genus Durio, a plant belonging to the genus Magnolia and a plant belonging to the genus Chamaemelum to thereby synthesize the methacrylic acid ester.