Cinnamoyl-CoA (BioDeep_00000004444)

 

Secondary id: BioDeep_00000630355, BioDeep_00001869535

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2E)-3-phenylprop-2-enoyl]sulphanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid

化学式: C30H42N7O17P3S (897.1570672000001)
中文名称:
谱图信息: 最多检出来源 Macaca mulatta(otcml) 1.38%

分子结构信息

SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=CC=C4)O
InChI: InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25+,29-/m1/s1

描述信息

Cinnamoyl-coa is a member of the class of compounds known as 2-enoyl coas. 2-enoyl coas are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. Cinnamoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Cinnamoyl-coa can be found in sorghum, which makes cinnamoyl-coa a potential biomarker for the consumption of this food product. Cinnamoyl-Coenzyme A is an intermediate in the phenylpropanoids metabolic pathway .

同义名列表

7 个代谢物同义名

4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2E)-3-phenylprop-2-enoyl]sulphanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid; 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2E)-3-phenylprop-2-enoyl]sulphanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidate; 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidate; {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid; Cinnamyl-Coenzyme A; Cinnamoyl-CoA



数据库引用编号

20 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(1)

PlantCyc(0)

代谢反应

244 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(2)

WikiPathways(0)

Plant Reactome(240)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(2)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Nathalie D Lackus, Axel Schmidt, Jonathan Gershenzon, Tobias G Köllner. A peroxisomal β-oxidative pathway contributes to the formation of C6-C1 aromatic volatiles in poplar. Plant physiology. 2021 06; 186(2):891-909. doi: 10.1093/plphys/kiab111. [PMID: 33723573]
  • Steven A Sattler, Alexander M Walker, Wilfred Vermerris, Scott E Sattler, ChulHee Kang. Structural and Biochemical Characterization of Cinnamoyl-CoA Reductases. Plant physiology. 2017 02; 173(2):1031-1044. doi: 10.1104/pp.16.01671. [PMID: 27956488]
  • Russell J Chedgy, Tobias G Köllner, C Peter Constabel. Functional characterization of two acyltransferases from Populus trichocarpa capable of synthesizing benzyl benzoate and salicyl benzoate, potential intermediates in salicinoid phenolic glycoside biosynthesis. Phytochemistry. 2015 May; 113(?):149-59. doi: 10.1016/j.phytochem.2014.10.018. [PMID: 25561400]
  • Shinyoung Lee, Yasuhisa Kaminaga, Bruce Cooper, Eran Pichersky, Natalia Dudareva, Clint Chapple. Benzoylation and sinapoylation of glucosinolate R-groups in Arabidopsis. The Plant journal : for cell and molecular biology. 2012 Nov; 72(3):411-22. doi: 10.1111/j.1365-313x.2012.05096.x. [PMID: 22762247]
  • Anthony V Qualley, Joshua R Widhalm, Funmilayo Adebesin, Christine M Kish, Natalia Dudareva. Completion of the core β-oxidative pathway of benzoic acid biosynthesis in plants. Proceedings of the National Academy of Sciences of the United States of America. 2012 Oct; 109(40):16383-8. doi: 10.1073/pnas.1211001109. [PMID: 22988098]
  • Jun Xiong, Hai-Bin Wang, Chang-Xun Fang, Long Qiu, Wen-Xiang Wu, Hai-Bin He, Wen-Xiong Lin. [The differential expression of the genes of the key enzymes involved in phenolic compound metabolism in rice (Oryza sativa L.) under different nitrogen supply]. Zhi wu sheng li yu fen zi sheng wu xue xue bao = Journal of plant physiology and molecular biology. 2007 Oct; 33(5):387-94. doi: ". [PMID: 17960041]
  • Laigeng Li, Xiaofei Cheng, Shanfa Lu, Tomoyuki Nakatsubo, Toshiaki Umezawa, Vincent L Chiang. Clarification of cinnamoyl co-enzyme A reductase catalysis in monolignol biosynthesis of Aspen. Plant & cell physiology. 2005 Jul; 46(7):1073-82. doi: 10.1093/pcp/pci120. [PMID: 15870094]
  • Satoshi Oguro, Tomoyoshi Akashi, Shin-Ichi Ayabe, Hiroshi Noguchi, Ikuro Abe. Probing biosynthesis of plant polyketides with synthetic N-acetylcysteamine thioesters. Biochemical and biophysical research communications. 2004 Dec; 325(2):561-7. doi: 10.1016/j.bbrc.2004.10.057. [PMID: 15530429]
  • Till Beuerle, Eran Pichersky. Enzymatic synthesis and purification of aromatic coenzyme a esters. Analytical biochemistry. 2002 Mar; 302(2):305-12. doi: 10.1006/abio.2001.5574. [PMID: 11878812]
  • S Schanz, G Schröder, J Schröder. Stilbene synthase from Scots pine (Pinus sylvestris). FEBS letters. 1992 Nov; 313(1):71-4. doi: 10.1016/0014-5793(92)81187-q. [PMID: 1426272]