Dephospho-CoA (BioDeep_00000001749)

 

Secondary id: BioDeep_00000400221, BioDeep_00000630362

natural product human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds


代谢物信息卡片


[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid

化学式: C21H35N7O13P2S (687.1488720000001)
中文名称: 3'-去磷酸辅酶 A
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 0.35%

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)O)C(C(=O)NCCC(=O)NCCS)O
InChI: InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1

描述信息

Dephospho-CoA, also known as 3-dephospho-CoA, belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribonucleosides with a diphosphate group linked to the ribose moiety. Thus, dephospho-CoA is considered to be a fatty ester lipid molecule. Dephospho-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, dephospho-CoA has been detected, but not quantified in, several different foods, such as wild leeks, summer savouries, arctic blackberries, biscuits, and persimmons. This could make dephospho-CoA a potential biomarker for the consumption of these foods. Dephospho-CoA is an intermediate in pantothenate and CoA biosynthesis. It is a substrate for bifunctional coenzyme A synthase which contains the dephospho-CoA kinase (EC 2.7.1.24). This enzyme catalyzes the final step in CoA biosynthesis: the phosphorylation of the 3-hydroxyl group of ribose using ATP as a phosphate donor. The reaction is ATP + 3-dephospho-CoA = ADP + CoA.
Dephospho-CoA is a substrate for Ectonucleotide pyrophosphatase/phosphodiesterase 1, Ectonucleotide pyrophosphatase/phosphodiesterase 3 and Ectonucleotide pyrophosphatase/phosphodiesterase 2. [HMDB]. Dephospho-CoA is found in many foods, some of which are cardamom, epazote, lemon balm, and mammee apple.
Acquisition and generation of the data is financially supported in part by CREST/JST.

同义名列表

19 个代谢物同义名

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid; 2-(5-triphosphoribosyl)-3-dephospho-CoA; 3’-O-Dephosphonocoenzyme A; 3-O-Dephosphonocoenzyme A; 3-Desphospho-coenzyme A; 3’-Dephospho-coenzyme A; 3-Dephospho-coenzyme A; 3’-Dephosphocoenzyme A; 3-Dephosphocoenzyme A; Dephospho-coenzyme A; Dephosphocoenzyme A; 3’-Dephospho-CoA; 3-Dephospho-CoA; Desphospho-CoA; Dephospho coa; Dephospho-CoA; DpCoA; Dephosphocoenzyme A (Dephospho-CoA); Dephospho-CoA



数据库引用编号

33 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

85 个相关的代谢反应过程信息。

Reactome(5)

BioCyc(3)

WikiPathways(0)

Plant Reactome(66)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(11)

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

  • Qingling Li, Shenghui Zhang, Jessica M Berthiaume, Brigitte Simons, Guo-Fang Zhang. Novel approach in LC-MS/MS using MRM to generate a full profile of acyl-CoAs: discovery of acyl-dephospho-CoAs. Journal of lipid research. 2014 Mar; 55(3):592-602. doi: 10.1194/jlr.d045112. [PMID: 24367045]
  • Katsumi Shibata, Takumi Nakai, Tsutomu Fukuwatari. Simultaneous high-performance liquid chromatography determination of coenzyme A, dephospho-coenzyme A, and acetyl-coenzyme A in normal and pantothenic acid-deficient rats. Analytical biochemistry. 2012 Nov; 430(2):151-5. doi: 10.1016/j.ab.2012.08.010. [PMID: 22922385]
  • R Spector. Pantothenic acid transport and metabolism in the central nervous system. The American journal of physiology. 1986 Feb; 250(2 Pt 2):R292-7. doi: 10.1152/ajpregu.1986.250.2.r292. [PMID: 3080905]