2-Methylacetoacetyl-CoA (BioDeep_00000005180)
Secondary id: BioDeep_00000630308, BioDeep_00001869342
human metabolite Endogenous
代谢物信息卡片
化学式: C26H42N7O18P3S (865.1519822000001)
中文名称:
谱图信息:
最多检出来源 Macaca mulatta(otcml) 6.49%
分子结构信息
SMILES: CC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChI: InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)
描述信息
2-Methylacetoacetyl-CoA belongs to the class of organic compounds known as 3-oxo-acyl CoAs. These are organic compounds containing a 3-oxo acylated coenzyme A derivative. 2-Methylacetoacetyl-CoA is a substrate for 3-hydroxyacyl-CoA dehydrogenase type II, 3-ketoacyl-CoA thiolase (mitochondrial), peroxisomal bifunctional enzyme, trifunctional enzyme beta subunit (mitochondrial), short chain 3-hydroxyacyl-CoA dehydrogenase (mitochondrial), and 3-ketoacyl-CoA thiolase (peroxisomal).
2-Methylacetoacetyl-CoA is a substrate for 3-hydroxyacyl-CoA dehydrogenase type II, 3-ketoacyl-CoA thiolase (mitochondrial), Peroxisomal bifunctional enzyme, Trifunctional enzyme beta subunit (mitochondrial), Short chain 3-hydroxyacyl-CoA dehydrogenase (mitochondrial) and 3-ketoacyl-CoA thiolase (peroxisomal). [HMDB]. 2-Methylacetoacetyl-CoA is found in many foods, some of which are spirulina, macadamia nut (m. tetraphylla), root vegetables, and yardlong bean.
同义名列表
11 个代谢物同义名
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2S)-2-methyl-3-oxobutanoyl]sulphanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid; (2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2S)-2-methyl-3-oxobutanoyl]sulphanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidate; (2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2S)-2-methyl-3-oxobutanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidate; {[(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-{[(2S)-2-methyl-3-oxobutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(2S)-2-methyl-3-oxobutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid; 2-Methyl-3-acetoacetyl-coenzyme A; 2-Methylacetoacetyl-coenzyme A; 2-Methylacetoacetyl coenzyme A; alphamethylacetoacetyl CoA; 2-Methyl-3-acetoacetyl-CoA; 2-Methylacetoacetyl-CoA
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:15476
- KEGG: C03344
- PubChem: 193425
- PubChem: 53
- HMDB: HMDB0001157
- Metlin: METLIN63438
- Wikipedia: 2-Methylacetoacetyl-CoA
- MetaCyc: 2-METHYL-ACETO-ACETYL-COA
- foodb: FDB022455
- CAS: 6712-01-2
- PMhub: MS000017903
- PubChem: 6187
- LipidMAPS: LMFA07050189
- 3DMET: B04890
- NIKKAJI: J2.741.588A
- RefMet: 2-Methylacetoacetyl-CoA
分类词条
相关代谢途径
PlantCyc(0)
代谢反应
104 个相关的代谢反应过程信息。
Reactome(48)
- Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA + CoA-SH ⟶ choloyl-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA + CoA-SH ⟶ choloyl-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
ATP + PROP-CoA + carbon dioxide ⟶ ADP + MEMA-CoA + Pi
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA + CoA-SH ⟶ choloyl-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
ATP + PROP-CoA + carbon dioxide ⟶ ADP + MEMA-CoA + Pi
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA
- Amino acid and derivative metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Branched-chain amino acid catabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
BioCyc(1)
- isoleucine degradation I:
2-methylacetoacetyl-CoA + coenzyme A ⟶ acetyl-CoA + propanoyl-CoA
WikiPathways(0)
Plant Reactome(0)
INOH(2)
- Valine,Leucine and Isoleucine degradation ( Valine,Leucine and Isoleucine degradation ):
2-Methyl-3-acetoacetyl-CoA + CoA ⟶ Acetyl-CoA + Propanoyl-CoA
- NAD+ + (S)-3-Hydroxy-2-methyl-butanoyl-CoA = NADH + 2-Methyl-3-acetoacetyl-CoA ( Valine,Leucine and Isoleucine degradation ):
(S)-3-Hydroxy-2-methyl-butanoyl-CoA + NAD+ ⟶ 2-Methyl-3-acetoacetyl-CoA + NADH
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(53)
- Valine, Leucine, and Isoleucine Degradation:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- beta-Ketothiolase Deficiency:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 2-Methyl-3-hydroxybutyryl-CoA Dehydrogenase Deficiency:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Propionic Acidemia:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Maple Syrup Urine Disease:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 3-Methylglutaconic Aciduria Type I:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 3-Methylglutaconic Aciduria Type III:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Methylmalonate Semialdehyde Dehydrogenase Deficiency:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Methylmalonic Aciduria:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Isovaleric Aciduria:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 3-Methylglutaconic Aciduria Type IV:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- 3-Hydroxyisobutyric Aciduria:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Isobutyryl-CoA Dehydrogenase Deficiency:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Isovaleric Acidemia:
-Ketoisovaleric acid + Thiamine pyrophosphate ⟶ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
- Isoleucine Degradation:
L-Isoleucine + Oxoglutaric acid ⟶ (S)-3-methyl-2-oxopentanoate + L-Glutamic acid
- Valine, Leucine, and Isoleucine Degradation:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylglutaconic Aciduria Type I:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylglutaconic Aciduria Type III:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylglutaconic Aciduria Type IV:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- beta-Ketothiolase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Isovaleric Aciduria:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Maple Syrup Urine Disease:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Methylmalonate Semialdehyde Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Methylmalonic Aciduria:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Propionic Acidemia:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Hydroxyisobutyric Aciduria:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Isobutyryl-CoA Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Isovaleric Acidemia:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Valine, Leucine, and Isoleucine Degradation:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Valine, Leucine, and Isoleucine Degradation:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylglutaconic Aciduria Type I:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylglutaconic Aciduria Type III:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Methylglutaconic Aciduria Type IV:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- beta-Ketothiolase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Isovaleric Aciduria:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Maple Syrup Urine Disease:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Methylmalonate Semialdehyde Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Methylmalonic Aciduria:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Propionic Acidemia:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- 3-Hydroxyisobutyric Aciduria:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Isobutyryl-CoA Dehydrogenase Deficiency:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
- Isovaleric Acidemia:
L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid
PharmGKB(0)
2 个相关的物种来源信息
- 9606 - Homo sapiens: -
- 9606 - Homo sapiens: 10.1007/S11306-016-1051-4
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
- Jian-bo Shu, Yu-qin Zhang, Shu-zhen Jiang, Chun-hua Zhang, Ying-tao Meng, Hong Wang, Li Song. [Mutation analysis of a family with 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase deficiency].
Zhonghua er ke za zhi = Chinese journal of pediatrics.
2013 Oct; 51(10):783-6. doi:
. [PMID: 24406234]
- B Middleton, K Bartlett. The synthesis and characterisation of 2-methylacetoacetyl coenzyme A and its use in the identification of the site of the defect in 2-methylacetoacetic and 2-methyl-3-hydroxybutyric aciduria.
Clinica chimica acta; international journal of clinical chemistry.
1983 Mar; 128(2-3):291-305. doi:
10.1016/0009-8981(83)90329-7
. [PMID: 6133656]