3-Methylcrotonyl-CoA (BioDeep_00000004149)

Main id: BioDeep_00000630310

 

natural product human metabolite 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-[(3-methylbut-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

化学式: C26H42N7O17P3S (849.1570672000001)
中文名称: 3-甲基巴豆酰辅酶A
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=CC(=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)C
InChI: InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)

描述信息

3-Methylcrotonyl-CoA, also known as beta-methylcrotonyl-coenzyme A or dimethylacryloyl-CoA, belongs to the class of organic compounds known as acyl-CoAs. These are organic compounds containing a coenzyme A substructure linked to an acyl chain. Thus, 3-methylcrotonyl-CoA is considered to be a fatty ester lipid molecule. 3-Methylcrotonyl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3-Methylcrotonyl-CoA is an essential metabolite for leucine metabolism, is a substrate of 3-methylcrotonyl-CoA carboxylase (EC 6.4.1.4), and is a biotin-dependent mitochondrial enzyme in the catabolism of leucine (OMIM: 609010).
3-Methylcrotonyl-CoA is an essential metabolite for leucine metabolism, a substrate of 3-methylcrotonyl-CoA carboxylase (EC 6.4.1.4), a biotin-dependent mitochondrial enzyme in the catabolism of leucine. (OMIM 609010) [HMDB]. 3-Methylcrotonyl-CoA is found in many foods, some of which are summer savory, lupine, blackcurrant, and soft-necked garlic.

同义名列表

35 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-[(3-methylbut-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid; S-[2-[3-[[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-methylbut-2-enethioate; beta-Methylcrotonyl coenzyme A lithium salt; beta,beta-Dimethacrylyl-coenzyme A; β-methylcrotonoyl-Coenzyme A; S-(3-Methylcrotonoyl)-coenzyme A; S-(3-Methyl-crotonoyl)-coenzym-a; beta-Dimethylacrylylcoenzyme A; 3-Methylbut-2-enoyl-Coenzyme A; b,b-Dimethacrylyl-coenzyme A; 3,3-Dimethacrylyl-coenzyme A; β,β-Dimethacrylyl-coenzyme A; 3-Methylcrotonoyl-Coenzyme A; β-Dimethylacrylylcoenzyme A; beta,beta-Dimethacrylyl-CoA; b-Methylcrotonyl-Coenzyme A; Dimethylacryloyl-Coenzyme A; 3-Methylcrotonyl-coenzyme A; β-methylcrotonoyl-CoA; β-Methylcrotonyl-CoA; Methylcrotonyl-coenzyme A; 3-methylbut-2-enoyl-CoA; beta-Methylcrotonyl CoA; 3,3-Dimethacrylyl-CoA; β,β-Dimethacrylyl-CoA; b,b-Dimethacrylyl-CoA; 3-Methylcrotonoyl-CoA; 3-methylcrotonyl-CoA; 3-Methylcrotonyl CoA; b-Methylcrotonyl-CoA; Dimethylacryloyl-CoA; β-Methylcrotonyl CoA; Methylcrotonyl-CoA; DMA-CoA; 3-Methylcrotonyl-CoA



数据库引用编号

23 个数据库交叉引用编号

分类词条

相关代谢途径

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BioCyc(1)

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代谢反应

68 个相关的代谢反应过程信息。

Reactome(9)

BioCyc(3)

WikiPathways(0)

Plant Reactome(0)

INOH(3)

PlantCyc(0)

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PathBank(53)

PharmGKB(0)

2 个相关的物种来源信息

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  • 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。

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