丙二酰-辅酶A半醛 | 6244-93-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 丙二酰-辅酶A半醛
• 英文名称: S-(3-oxo-propionyl)-coenzyme-A
• 英文别名: S-(3-Oxo-propionyl)-coenzym-A；3-oxopropanoyl-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-oxopropanethioate
• CAS: 6244-93-5
• 化学式: C₂₄H₃₈N₇O₁₈P₃S
• 分子量: 837.589
• InChiKey: NMEYBPUHJHMRHU-IEXPHMLFSA-N

物化性质

• 密度：
  1.90±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -6
• 重原子数：
  53
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  406
• 氢给体数：
  9
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  辅酶 A 生成 丙二酰-辅酶A半醛
  参考文献：
  名称：

  Vagelos; Earl, Journal of Biological Chemistry, 1959, vol. 234, p. 2272,2273

  摘要：

  DOI：

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。
• 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。
• EUKARYOTIC ORGANISMS AND METHODS FOR INCREASING THE AVAILABILITY OF CYTOSOLIC ACETYL-COA, AND FOR PRODUCING 1,3-BUTANEDIOL
  申请人：Burgard Anthony P.

  公开号：US20130066035A1

  公开（公告）日：2013-03-14

  Provided herein are non-naturally occurring eukaryotic organisms that can be engineered to produce and increase the availability of cytosolic acetyl-CoA. Also provided herein are non-naturally occurring eukaryotic organisms having a 1,3-butanediol (1,3-BDO) pathway. and methods of using such organisms to produce 1,3-BDO.

  本文提供的是非自然存在的真核生物，可以经过基因工程来产生并增加细胞质中乙酰辅酶A的可用性。同时，还提供了一种具有1,3-丁二醇(1,3-BDO)途径的非自然存在的真核生物，并提供了使用这些生物来生产1,3-BDO的方法。
• MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE
  申请人：Genomatica, Inc.

  公开号：US20140155567A1

  公开（公告）日：2014-06-05

  The invention provides non-naturally occurring microbial organisms having a butadiene pathway. The invention additionally provides methods of using such organisms to produce butadiene.

  该发明提供了具有丁二烯途径的非自然微生物生物体。此外，该发明还提供了利用这些生物体生产丁二烯的方法。