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 (849.1571)
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

Reactome(0)

BioCyc(1)

PlantCyc(0)

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)

COVID-19 Disease Map(0)

PathBank(53)

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。

亚细胞结构定位 关联基因列表
Cytoplasm 8 ACADM, GLUL, HADH, HLCS, HPGDS, MVD, PC, PPARG
Nucleus 3 ACADM, GLUL, PPARG
cytosol 10 GLUL, HLCS, HMGCL, HPGDS, MCCC1, MCCC2, MVD, PC, PCCA, PPARG
mitochondrial membrane 2 ACADM, IVD
nucleoplasm 4 HADH, HPGDS, IVD, PPARG
RNA polymerase II transcription regulator complex 1 PPARG
Cell membrane 1 GLUL
Lipid-anchor 1 GLUL
lamellipodium 1 KPTN
Golgi membrane 1 INS
lysosomal membrane 1 KPTN
mitochondrial inner membrane 2 HADH, SIRT4
Cytoplasm, cytosol 1 GLUL
plasma membrane 1 GLUL
Membrane 1 LCAT
axon 1 ACADM
extracellular exosome 3 BTD, GLUL, LCAT
Lysosome membrane 1 KPTN
endoplasmic reticulum 1 GLUL
extracellular space 3 BTD, INS, LCAT
perinuclear region of cytoplasm 1 PPARG
mitochondrion 13 ACADM, ECHS1, GCDH, GLUL, HADH, HLCS, HMGCL, IVD, MCCC1, MCCC2, PC, PCCA, SIRT4
protein-containing complex 1 HMGCL
intracellular membrane-bounded organelle 2 HPGDS, PPARG
Secreted 2 INS, LCAT
extracellular region 3 BTD, INS, LCAT
Mitochondrion matrix 10 ACADM, GCDH, HADH, HMGCL, IVD, MCCC1, MCCC2, PC, PCCA, SIRT4
mitochondrial matrix 12 ACADM, BTD, ECHS1, GCDH, HADH, HMGCL, IVD, MCCC1, MCCC2, PC, PCCA, SIRT4
high-density lipoprotein particle 1 LCAT
actin cytoskeleton 1 KPTN
Cell projection, lamellipodium 1 KPTN
Mitochondrion inner membrane 1 HADH
mitochondrial nucleoid 1 HADH
Peroxisome 1 HMGCL
peroxisomal matrix 1 HMGCL
receptor complex 1 PPARG
chromatin 2 HLCS, PPARG
Secreted, extracellular space 1 BTD
endosome lumen 1 INS
Cell projection, stereocilium 1 KPTN
stereocilium 1 KPTN
cell body 1 GLUL
Microsome 1 GLUL
secretory granule lumen 1 INS
Golgi lumen 1 INS
endoplasmic reticulum lumen 1 INS
nuclear matrix 1 HLCS
transport vesicle 1 INS
mitochondrial fatty acid beta-oxidation multienzyme complex 1 HADH
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
nuclear lamina 1 HLCS
postsynaptic actin cytoskeleton 1 KPTN
glial cell projection 1 GLUL
catalytic complex 1 PCCA
KICSTOR complex 1 KPTN
3-methylcrotonyl-CoA carboxylase complex, mitochondrial 2 MCCC1, MCCC2
methylcrotonoyl-CoA carboxylase complex 2 MCCC1, MCCC2


文献列表