Isobutyryl-CoA (BioDeep_00000003531)

Main id: BioDeep_00000630354

Secondary id: BioDeep_00000400242, BioDeep_00000400411, BioDeep_00001868796

natural product human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

化学式: C25H42N7O17P3S (837.1570672000001)
中文名称: 异丁酰基辅酶 A
谱图信息: 最多检出来源 Helianthus annuus(natural_products) 3.64%

分子结构信息

SMILES: CC(C)C(=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/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1

描述信息

Isobutyryl-CoA is a substrate for Acyl-CoA dehydrogenase (short-chain specific, mitochondrial), Acyl-CoA dehydrogenase (medium-chain specific, mitochondrial) and Acyl-CoA dehydrogenase (long-chain specific, mitochondrial). [HMDB]
Isobutyryl-CoA is a substrate for Acyl-CoA dehydrogenase (short-chain specific, mitochondrial), Acyl-CoA dehydrogenase (medium-chain specific, mitochondrial) and Acyl-CoA dehydrogenase (long-chain specific, mitochondrial).
Acquisition and generation of the data is financially supported in part by CREST/JST.

同义名列表

25 个代谢物同义名

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid; 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] 2-methylpropanethioate; Isobutyryl-CoA (unspecified stereochemistry); Isobutyryl coenzyme A (C4:0) lithium salt; α-methylpropionyl-Coenzyme A; S-(2-Methylpropanoyl)-coenzyme A; alpha-Methylpropionyl-coenzyme A; S-(2-Methylpropanoate)coenzyme A; 2-Methylpropionyl-coenzyme A; 2-Methylpropanoyl-coenzyme A; α-methylpropionyl-CoA; S-(2-Methylpropanoate)CoA; alpha-Methylpropionyl-CoA; S-(2-Methylpropanoic acid; S-(2-Methylpropanoyl)-CoA; Isobutyryl- coenzyme A; Isobutyryl coenzyme A; Isobutyryl-coenzyme A; 2-Methylpropanoyl-CoA; S-(2-Methylpropanoate; 2-Methylpropionyl-CoA; Isobutyryl- CoA; Isobutanoyl-CoA; Isobutyryl-CoA; Isobutyryl coenzyme A (Isobutyryl-CoA)



数据库引用编号

34 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(3)

BioCyc(0)

PlantCyc(0)

代谢反应

398 个相关的代谢反应过程信息。

Reactome(36)

BioCyc(2)

  • valine degradation I: (S)-methylmalonate-semialdehyde + H2O + NAD+ + coenzyme A ⟶ H+ + NADH + bicarbonate + propanoyl-CoA
  • valine degradation I: (S)-methylmalonate-semialdehyde + H2O + NAD+ + coenzyme A ⟶ H+ + NADH + bicarbonate + propanoyl-CoA

WikiPathways(1)

Plant Reactome(304)

INOH(3)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(52)

PharmGKB(0)

4 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

  • Nico Ortlieb, Karin Bretzel, Andreas Kulik, Julian Haas, Steffen Lüdeke, Nadine Keilhofer, Silvia Diane Schrey, Harald Gross, Timo Horst Johannes Niedermeyer. Xanthocidin Derivatives from the Endophytic Streptomyces sp. AcE210 Provide Insight into Xanthocidin Biosynthesis. Chembiochem : a European journal of chemical biology. 2018 12; 19(23):2472-2480. doi: 10.1002/cbic.201800467. [PMID: 30300957]
  • Randy W Purves, Stephen J Ambrose, Shawn M Clark, Jake M Stout, Jonathan E Page. Separation of isomeric short-chain acyl-CoAs in plant matrices using ultra-performance liquid chromatography coupled with tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2015 Feb; 980(?):1-7. doi: 10.1016/j.jchromb.2014.12.007. [PMID: 25553535]
  • Lori A Maggio-Hall, Paul Lyne, Jon A Wolff, Nancy P Keller. A single acyl-CoA dehydrogenase is required for catabolism of isoleucine, valine and short-chain fatty acids in Aspergillus nidulans. Fungal genetics and biology : FG & B. 2008 Mar; 45(3):180-9. doi: 10.1016/j.fgb.2007.06.004. [PMID: 17656140]
  • S E Faivre-Nitschke, I Couée, M Vermel, J M Grienenberger, J M Gualberto. Purification, characterization and cloning of isovaleryl-CoA dehydrogenase from higher plant mitochondria. European journal of biochemistry. 2001 Mar; 268(5):1332-9. doi: 10.1046/j.1432-1327.2001.01999.x. [PMID: 11231285]
  • A Saner, H Weiser, D Hornig, M Da Prada, A Pletscher. Cerebral monoamine metabolism in guinea-pigs with ascorbic acid deficiency. The Journal of pharmacy and pharmacology. 1975 Dec; 27(12):896-902. doi: 10.1111/j.2042-7158.1975.tb10244.x. [PMID: 2659]