decanoyl-CoA (BioDeep_00000229015)

Main id: BioDeep_00000270836

 

human metabolite


代谢物信息卡片


{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

化学式: C31H54N7O17P3S (921.2509624)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1

描述信息

Decanoyl-coa, also known as 10:0-coa or decanoyl-coenzyme a, is a member of the class of compounds known as 2,3,4-saturated fatty acyl coas. 2,3,4-saturated fatty acyl coas are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain. Thus, decanoyl-coa is considered to be a fatty ester lipid molecule. Decanoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Decanoyl-coa can be synthesized from decanoic acid and coenzyme A. Decanoyl-coa can also be synthesized into 3-oxodecanoyl-CoA. Decanoyl-coa can be found in a number of food items such as swede, triticale, ohelo berry, and moth bean, which makes decanoyl-coa a potential biomarker for the consumption of these food products. Decanoyl-coa may be a unique S.cerevisiae (yeast) metabolite.

同义名列表

9 个代谢物同义名

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid; coenzyme A, S-Decanoic acid; coenzyme A, S-Decanoate; Decanoyl-coenzyme A; Capryl-coenzyme A; decanoyl-CoA; Capryl-CoA; C10:0-CoA; 10:0-CoA



数据库引用编号

14 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(6)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

2 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

  • Chitra Bhatia, Stephanie Oerum, James Bray, Kathryn L Kavanagh, Naeem Shafqat, Wyatt Yue, Udo Oppermann. Towards a systematic analysis of human short-chain dehydrogenases/reductases (SDR): Ligand identification and structure-activity relationships. Chemico-biological interactions. 2015 Jun; 234(?):114-25. doi: 10.1016/j.cbi.2014.12.013. [PMID: 25526675]
  • Jocelyn E Manning Fox, Jarkko Magga, Wayne R Giles, Peter E Light. Acyl coenzyme A esters differentially activate cardiac and beta-cell adenosine triphosphate-sensitive potassium channels in a side-chain length-specific manner. Metabolism: clinical and experimental. 2003 Oct; 52(10):1313-9. doi: 10.1016/s0026-0495(03)00199-9. [PMID: 14564684]
  • N M Broadway, E D Saggerson. Effect of membrane environment on the activity and inhibitability by malonyl-CoA of the carnitine acyltransferase of hepatic microsomal membranes. The Biochemical journal. 1997 Mar; 322 ( Pt 2)(?):435-40. doi: 10.1042/bj3220435. [PMID: 9065760]
  • H Singh, K Beckman, A Poulos. Evidence of two catalytically active carnitine medium/long chain acyltransferases in rat liver peroxisomes. Journal of lipid research. 1996 Dec; 37(12):2616-26. doi: . [PMID: 9017513]
  • C J Fiol, J Kerner, L L Bieber. Effect of malonyl-CoA on the kinetics and substrate cooperativity of membrane-bound carnitine palmitoyltransferase of rat heart mitochondria. Biochimica et biophysica acta. 1987 Dec; 916(3):482-92. doi: 10.1016/0167-4838(87)90195-6. [PMID: 3689805]