(4-hydroxybutyryl)-coferment A

• 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: (4-hydroxybutyryl)-coferment A
• 英文别名: 4-hydroxybutyryl-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] 4-hydroxybutanethioate
• 化学式: C₂₅H₄₂N₇O₁₈P₃S
• 分子量: 853.632
• InChiKey: BAMBWCGEVIAQBF-CITAKDKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6
• 重原子数：
  54
• 可旋转键数：
  23
• 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

• 作为反应物：
  描述：

  (4-hydroxybutyryl)-coferment A 生成 4-羟基丁醛
  参考文献：
  名称：

  MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS

  摘要：

  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。

  公开号：

  US20150148513A1
• 作为产物：
  描述：

  4-羟基丁酸 、 乙酰辅酶A 在 potassium phosphate 、 transferase 作用下， 以 水 为溶剂， 反应 0.17h， 生成 (4-hydroxybutyryl)-coferment A
  参考文献：
  名称：

  Synthesis of 13C-labeled γ-hydroxybutyrates for EPR studies with 4-hydroxybutyryl-CoA dehydratase

  摘要：

  4-Hydroxybutyryl-CoA dehydratase from Clostridium aminobutyricum catalyses the reversible dehydration of its substrate 4-hydroxybutyryl-CoA (4-HB-CoA) to crotonyl CoA. The enzyme contains one [4Fe-4S](2+) cluster and one flavin adenine dinucleotide (FAD) molecule per homotetramer. Incubation of the enzyme with its substrate under equilibrium conditions followed by freezing at 77 K induced the EPR-spectrum of a neutral flavin semiquinone (g = 2.005, linewidth 2.1 mT), while at 10 K additional signals were detected. In an attempt to characterize these signals, 4-HB-CoA molecules specifically labeled with C-13 have been synthesized. This was achieved via C-13-labeled gamma-butyrolactones, which were obtained from C-13-labeled bromoacetic acids by efficient synthetic routes. Incubation of the C-13-labeled 4-hydroxybutyrate-CoA molecules with 4-hydroxybutyryi-CoA dehydratase did not lead to marked broadening of the signals.(C) 2004 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2004.09.001

文献信息

• [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。
• [EN] PROCESS FOR PRODUCING ALKANES USING MICROORGANISMS COMBINED WITH KOLBE SYNTHESIS<br/>[FR] PROCÉDÉ POUR LA PRODUCTION D'ALCANES À L'AIDE DE MICRO-ORGANISMES COMBINÉS AVEC UNE SYNTHÈSE DE KOLBE
  申请人：EVONIK DEGUSSA GMBH

  公开号：WO2016008979A1

  公开（公告）日：2016-01-21

  The present invention relatesto a method of producing at least one alkane, the method comprising, -producing at least one carboxylic acid from a carbon source using a genetically modified microorganism, and -performing Kolbe electrolysis on the carboxylic acid to produce the alkane, wherein the alkane comprises at least 6 carbon atoms and the carboxylic acid comprises at least 4 carbon atomsand wherein the carbon source is selected from the group consisting of ethanol, acetate, propionate, butyrate, isobutyrate, valerate, hexanoate and combinations thereof and the microorganism is capable of producing the carboxylic acid using ethanol-carboxylate fermentation.

  本发明涉及一种生产至少一种烷烃的方法，该方法包括：-使用经过基因改造的微生物从碳源生产至少一种羧酸，并-对羧酸进行科尔比电解以生产烷烃，其中烷烃至少包含6个碳原子，羧酸至少包含4个碳原子，碳源选自乙醇、乙酸盐、丙酸盐、丁酸盐、异丁酸盐、戊酸盐、己酸盐及其组合，微生物能够利用乙醇-羧酸发酵产生羧酸。
• MICROORGANISMS AND METHODS FOR THE PRODUCTION OF CAPROLACTONE
  申请人：Burgard Anthony P.

  公开号：US20130144029A1

  公开（公告）日：2013-06-06

  The invention provides non-naturally occurring microbial organisms containing caprolactone pathways having at least one exogenous nucleic acid encoding a butadiene pathway enzyme expressed in a sufficient amount to produce caprolactone. The invention additionally provides methods of using such microbial organisms to produce caprolactone by culturing a non-naturally occurring microbial organism containing caprolactone pathways as described herein under conditions and for a sufficient period of time to produce caprolactone.

  本发明提供了含有环己内酯代谢途径的非自然微生物体，其中至少含有一种外源核酸编码丁二烯代谢途径酶的表达量足以产生环己内酯。此外，本发明还提供了使用这种微生物体生产环己内酯的方法，即在适当的条件下并足够长的时间内培养含有环己内酯代谢途径的非自然微生物体，以产生环己内酯。
• SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID
  申请人：Burk Mark J.

  公开号：US20110124911A1

  公开（公告）日：2011-05-26

  The invention provides a non-naturally occurring microbial organism having a muconate pathway having at least one exogenous nucleic acid encoding a muconate pathway enzyme expressed in a sufficient amount to produce muconate. The muconate pathway including an enzyme selected from the group consisting of a beta-ketothiolase, a beta-ketoadipyl-CoA hydrolase, a beta-ketoadipyl-CoA transferase, a beta-ketoadipyl-CoA ligase, a 2-fumarylacetate reductase, a 2-fumarylacetate dehydrogenase, a trans-3-hydroxy-4-hexendioate dehydratase, a 2-fumarylacetate aminotransferase, a 2-fumarylacetate aminating oxidoreductase, a trans-3-amino-4-hexenoate deaminase, a beta-ketoadipate enol-lactone hydrolase, a muconolactone isomerase, a muconate cycloisomerase, a beta-ketoadipyl-CoA dehydrogenase, a 3-hydroxyadipyl-CoA dehydratase, a 2,3-dehydroadipyl-CoA transferase, a 2,3-dehydroadipyl-CoA hydrolase, a 2,3-dehydroadipyl-CoA ligase, a muconate reductase, a 2-maleylacetate reductase, a 2-maleylacetate dehydrogenase, a cis-3-hydroxy-4-hexendioate dehydratase, a 2-maleylacetate aminoatransferase, a 2-maleylacetate aminating oxidoreductase, a cis-3-amino-4-hexendioate deaminase, and a muconate cis/trans isomerase. Other muconate pathway enzymes also are provided. Additionally provided are methods of producing muconate.

  本发明提供了一种非自然存在的微生物有着至少一个外源核酸编码的足量表达黏酸途径酶以产生黏酸的黏酸途径微生物。黏酸途径包括以下酶的选择：β-酮巯基硫酰酶、β-酮己二酸-CoA水解酶、β-酮己二酸-CoA转移酶、β-酮己二酸-CoA连接酶、2-富马酰乙酸还原酶、2-富马酰乙酸脱氢酶、顺式-3-羟基-4-己烯二酸脱水酶、2-富马酰乙酸氨基转移酶、2-富马酰乙酸氨基氧化还原酶、顺式-3-氨基-4-己烯二酸脱氨酶、β-酮己二酸烯醇内酯水解酶、黏酸内酯异构酶、黏酸环异构酶、β-酮己二酸-CoA脱氢酶、3-羟基己二酰-CoA脱水酶、2,3-脱氢己二酰-CoA转移酶、2,3-脱氢己二酰-CoA水解酶、2,3-脱氢己二酰-CoA连接酶、黏酸还原酶、2-马来酰乙酸还原酶、2-马来酰乙酸脱氢酶、顺式-3-羟基-4-己烯二酸脱水酶、2-马来酰乙酸氨基转移酶、2-马来酰乙酸氨基氧化还原酶、顺式-3-氨基-4-己烯二酸脱氨酶和黏酸顺/反异构酶。还提供了其他黏酸途径酶。此外，还提供了生产黏酸的方法。
• GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS
  申请人：Farmer William R.

  公开号：US20100168481A1

  公开（公告）日：2010-07-01

  Recombinant hosts for producing polyhydroxyalkanoates and methods of producing polyhydroxyalkanoates from renewable carbon substrates are provided. Certain recombinant hosts that produce 5 carbon chemicals such as 5-aminopentanoate (5AP), 5-hydroxyvalerate (5HV), glutarate, and 1,5 pentanediol (PDO) are also provided. One embodiment provides a recombinant host expressing a gene encoding a heterologous enzyme selected from the group consisting of a polyhydroxyalkanoate synthase and a 5-hydroxyvalerate-CoA (5HV-CoA) transferase, wherein the host produces a polymer containing 5-hydroxyvalerate. Preferably, the host expresses both a polyhydroxyalkanoate synthase and a 5HV-CoA transferase. The host can be prokaryotic or eukaryotic. A preferred prokaryotic host is E. coli . The polymers produced by the recombinant hosts can be homopolymers or copolymers of 5-hydroxyvalerate. A preferred copolymer is poly(3-hydroxybutyrate-co-5-hydroxyvalerate).

  本发明提供了用于生产聚羟基脂肪酸酯的重组宿主以及从可再生碳底物生产聚羟基脂肪酸酯的方法。本发明还提供了某些重组宿主，它们可以产生5碳化学品，例如5-氨基戊酸（5AP）、5-羟基戊酸（5HV）、戊二酸和1,5-戊二醇（PDO）。其中一种实施例提供了一种表达编码异源酶的基因的重组宿主，所述异源酶选自聚羟基脂肪酸酯合成酶和5-羟基戊酸-CoA（5HV-CoA）转移酶的群组，其中所述宿主产生含有5-羟基戊酸的聚合物。最好，宿主同时表达聚羟基脂肪酸酯合成酶和5HV-CoA转移酶。宿主可以是原核生物或真核生物。优选的原核生物宿主是大肠杆菌（E. coli）。重组宿主产生的聚合物可以是5-羟基戊酸的同源聚合物或共聚物。优选的共聚物是聚（3-羟基丁酸-5-羟基戊酸）。