3-hydroxy-isobutanoyl-CoA | 6008-94-2

• 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: 3-hydroxy-isobutanoyl-CoA
• 英文别名: S-((Ξ)-β-hydroxy-isobutyryl)-coenzyme-A；S-((Ξ)-β-Hydroxy-isobutyryl)-coenzym-A；3-Hydroxy-2-methylpropanoyl-CoA；S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-2-methylpropanethioate
• CAS: 6008-94-2
• 化学式: C₂₅H₄₂N₇O₁₈P₃S
• 分子量: 853.632
• InChiKey: WWEOGFZEFHPUAM-MIZDRFBCSA-N

物化性质

• 密度：
  1.87±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.8
• 重原子数：
  54
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  辅酶 A 生成 3-hydroxy-isobutanoyl-CoA
  参考文献：
  名称：

  Robinson et al., Journal of Biological Chemistry, 1957, vol. 224, p. 1,8

  摘要：

  DOI：

文献信息

• [EN] METHODS FOR PRODUCING 3-HYDROXY-3-METHYLBUTYRIC ACID<br/>[FR] PROCÉDÉS POUR PRODUIRE DE L'ACIDE 3-HYDROXY-3-MÉTHYLBUTYRIQUE
  申请人：GLOBAL BIOENERGIES

  公开号：WO2016042012A1

  公开（公告）日：2016-03-24

  Described is a method for the conversion of 3-methylcrotonyl-CoA into 3-hydroxy-3- methylbutyric acid comprising the steps of: (a) enzymatically converting 3-methylcrotonyl-CoA into 3-hydroxy-3-methylbutyryl-CoA; and (b) further enzymatically converting the thus produced 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyric acid wherein the enzymatic conversion of 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyric acid according to step (b) is achieved by first converting 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyryl phosphate and then subsequently converting the thus produced 3-hydroxy-3-methylbutyryl phosphate into 3-hydroxy-3-methylbutyric acid.

  描述了一种将3-甲基丙酰辅酶A转化为3-羟基-3-甲基丁酸的方法，包括以下步骤：(a)将3-甲基丙酰辅酶A酶促转化为3-羟基-3-甲基丁酰辅酶A；(b)进一步将所产生的3-羟基-3-甲基丁酰辅酶A酶促转化为3-羟基-3-甲基丁酸，其中根据步骤(b)将3-羟基-3-甲基丁酰辅酶A酶促转化为3-羟基-3-甲基丁酸的方法是首先将3-羟基-3-甲基丁酰辅酶A转化为3-羟基-3-甲基丁酰磷酸，然后随后将所产生的3-羟基-3-甲基丁酰磷酸转化为3-羟基-3-甲基丁酸。
• [EN] MICROORGANISMS FOR PRODUCING 4C-5C COMPOUNDS WITH UNSATURATION AND METHODS RELATED THERETO<br/>[FR] MICRO-ORGANISMES POUR LA PRODUCTION DE COMPOSÉS EN 4C-5 C AVEC UNE INSATURATION ET PROCÉDÉS ASSOCIÉS
  申请人：GENOMATICA INC

  公开号：WO2016004334A1

  公开（公告）日：2016-01-07

  The invention provides a non-naturally occurring microbial organism having a butadiene, crotyl alcohol, 2,4-pentadienoate, 3-buten-2-ol, or 3-buten-1-ol, pathway. The microbial organism contains at least one exogenous nucleic acid encoding an enzyme in a pathway. The invention additionally provides a method for producing butadiene, crotyl alcohol, 2,4-pentadienoate, 3-buten-2-ol, or 3-buten-1-ol,. The method can include culturing a butadiene, crotyl alcohol, 2,4-pentadienoate, 3-buten-2-ol, or 3-buten-1-ol-producing microbial organism, where the microbial organism expresses at least one exogenous nucleic acid encoding a pathway enzyme in a sufficient amount, and under conditions and for a sufficient period of time to produce butadiene, crotyl alcohol, 2,4-pentadienoate, 3-buten-2-ol, or 3-buten-1-ol.

  该发明提供了一种具有丁二烯、丁烯醇、2,4-戊二烯酸酯、3-丁烯-2-醇或3-丁烯-1-醇途径的非自然微生物生物体。该微生物生物体含有至少一个编码途径中酶的外源核酸。该发明还提供了一种生产丁二烯、丁烯醇、2,4-戊二烯酸酯、3-丁烯-2-醇或3-丁烯-1-醇的方法。该方法可以包括培养一种生产丁二烯、丁烯醇、2,4-戊二烯酸酯、3-丁烯-2-醇或3-丁烯-1-醇的微生物生物体，其中该微生物生物体表达至少一个编码途径酶的外源核酸，且在足够的量下，在适当的条件和足够的时间内产生丁二烯、丁烯醇、2,4-戊二烯酸酯、3-丁烯-2-醇或3-丁烯-1-醇。
• MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS
  申请人：Genomatica, Inc.

  公开号：US20150148513A1

  公开（公告）日：2015-05-28

  The invention provides non-naturally occurring microbial organisms having a 4-hydroxybutyrate, 1,4-butanediol, or other product pathway and being capable of producing 4-hydroxybutyrate, 1,4-butanediol, or other product, wherein the microbial organism comprises one or more genetic modifications. The invention additionally provides methods of producing 4-hydroxybutyrate, 1,4-butanediol, or other product or related products using the microbial organisms.

  该发明提供了具有4-羟基丁酸、1,4-丁二醇或其他产物途径并能够产生4-羟基丁酸、1,4-丁二醇或其他产物的非自然微生物生物体，其中该微生物生物体包括一个或多个基因修饰。该发明还提供了利用这些微生物生物体生产4-羟基丁酸、1,4-丁二醇或其他产物或相关产品的方法。
• [EN] COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES CHARACTERIZED BY INSUFFICIENT PANTOTHENATE KINASE ACTIVITY<br/>[FR] COMPOSITIONS ET MÉTHODES UTILES DANS LE TRAITEMENT DE MALADIES SE CARACTÉRISANT PAR UNE ACTIVITÉ INSUFFISANTE DE LA PANTOTHÉNATE KINASE
  申请人：ACIES BIO D O O

  公开号：WO2017218963A1

  公开（公告）日：2017-12-21

  Methods and pharmaceutical compositions for use in treating diseases associated with insufficient activity of the pantothenate kinase enzyme (e.g., CASTOR diseases) are disclosed. The methods and compositions involve an effective amount of an active derivative of 4'-phosphopantetheine.

  本发明揭示了用于治疗与泛酰胺激酶酶活性不足相关疾病（例如CASTOR疾病）的方法和药物组合物。这些方法和组合物涉及有效量的4'-磷酰泛酰胺的活性衍生物。
• [EN] ENZYMATIC PRODUCTION OF ACRYLYL-COA OR ETHYLENE FROM GLYCEROL<br/>[FR] PRODUCTION ENZYMATIQUE D'ACRYLYL-COA OU D'ÉTHYLÈNE À PARTIR DE GLYCÉROL
  申请人：GLOBAL BIOENERGIES

  公开号：WO2016097289A1

  公开（公告）日：2016-06-23

  Described is a method for the production of acrylyl-CoA from glycerol comprising the following steps: (a) the enzymatic conversion of glycerol into 3-hydroxypropionaldehyde; (b) the enzymatic conversion of said 3-hydroxypropionaldehyde into 3-hydroxypropionyl-CoA; and (c) the enzymatic conversion of said 3-hydroxypropionyl-CoA into acrylyl-CoA. Further enzymatic conversion of acrylyl-CoA into other products are disclosed. Further described is a method for the production of ethylene comprising the enzymatic conversion of propionic acid into ethylene. It is described that the enzymatic conversion of propionic acid into ethylene can be achieved by making use of a cytochrome P450 fatty acid decarboxylase or a non-heme iron oxygenase. Further, it is described that said propionic acid can be obtained by the enzymatic conversion of acrylyl-CoA into said propionic acid.

  描述了一种从甘油生产丙烯酰辅酶A的方法，包括以下步骤：(a) 将甘油酶转化为3-羟基丙醛；(b) 将所述3-羟基丙醛酶转化为3-羟基丙酰辅酶A；以及(c) 将所述3-羟基丙酰辅酶A酶转化为丙烯酰辅酶A。进一步披露了丙烯酰辅酶A的进一步酶转化为其他产品的方法。进一步描述了一种生产乙烯的方法，包括将丙酸酶转化为乙烯。描述了通过利用细胞色素P450脂肪酸脱羧酶或非血红素铁氧酶将丙酸酶转化为乙烯的方法。此外，还描述了通过将丙烯酰辅酶A酶转化为所述丙酸来获得所述丙酸的方法。