2-Methylbutyryl-CoA (BioDeep_00000014392)
Secondary id: BioDeep_00001872340
human metabolite Endogenous
代谢物信息卡片
化学式: C26H44N7O17P3S (851.1727164)
中文名称:
谱图信息:
最多检出来源 Viridiplantae(plant) 1.92%
分子结构信息
SMILES: CCC(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/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,15+,18+,19+,20-,24+/m0/s1
描述信息
2-Methylbutyryl-CoA (CAS: 6712-02-3), also known as alpha-methylbutyryl-coenzyme A, 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. 2-Methylbutyryl-CoA is a strong basic compound (based on its pKa). 2-Methylbutyryl-CoA is a product of isoleucine catabolism. It is converted into tiglyl-CoA by short/branched-chain acyl-CoA dehydrogenase. 2-Methylbutyryl-CoA dehydrogenase deficiency, also known as 2-methyl-3-hydroxybutyryl-CoA dehydrogenase deficiency or MBHD, is an inherited disorder in which the body is unable to process the amino acid isoleucine properly. It is caused by a mutation in the HADH2 gene. Untreated MBHD can lead to progressive loss of motor skills, mental retardation, and epilepsy.
a-Methylbutyryl-CoA is a a product of isoleucine catabolism. It is converted to Tiglyl-CoA by short/branched-chain acyl-CoA dehydrogenase. 2-Methylbutyryl-CoA dehydrogenase deficiency, also called 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase deficiency or MBHD, is an inherited disorder in which the body is unable to process the amino acid isoleucine properly. It is caused by a mutation in the HADH2 gene. Untreated MBHD can lead to progressive loss of motor skills, to mental retardation and to epilepsy. 2-Methylbutyryl-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]
同义名列表
13 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-{[(2S)-2-methylbutanoyl]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-methylbutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid; (S)-2-Methylbutanoyl-coenzyme A; (S)-2-Methylbutyryl-coenzyme A; alpha-Methylbutyryl coenzyme A; 2-Methylbutyryl-coenzyme A; α-Methylbutyryl coenzyme A; (S)-2-Methylbutanoyl-CoA; (S)-2-Methylbutyryl-CoA; alpha-Methylbutyryl CoA; 2-methylbutyryl-CoA; α-Methylbutyryl CoA; 2-Methylbutyryl CoA
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:90222
- KEGG: C15980
- PubChem: 71448903
- HMDB: HMDB0001041
- Metlin: METLIN63440
- Wikipedia: 2-Methylbutyryl-CoA
- MetaCyc: 2-METHYL-BUTYRYL-COA
- foodb: FDB022387
- chemspider: 30791986
- CAS: 87069-91-8
- CAS: 6712-02-3
- PubChem: 47205293
- NIKKAJI: J971.426J
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
13 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(12)
- adlupulone and adhumulone biosynthesis:
2-methylbutanoate + ATP + coenzyme A ⟶ 2-methylbutanoyl-CoA + AMP + diphosphate
- superpathway of bitter acids biosynthesis:
A(H2) + O2 + deoxyhumulone ⟶ A + H2O + humulone
- triacylsucrose biosynthesis (Solanum):
2-methylbutanoyl-CoA + 3-dodecanoyl-4-(3-methylbutanoyl)sucrose ⟶ 3-dodecanoyl-3',4-di(3-methylbutanoyl)sucrose + coenzyme A
- superpathway of acylsucrose biosynthesis (cultivated tomato):
2-methylbutanoyl-CoA + sucrose ⟶ 4-(2-methylbutanoyl)sucrose + coenzyme A
- acylsucrose biosynthesis (Solanum habrochaites):
2-methylbutanoyl-CoA + 4-(3-methylbutanoyl)sucrose ⟶ 3-(2-methylbutanoyl)-4-(3-methylbutanoyl)sucrose + coenzyme A
- superpathway of acylsucrose biosynthesis (wild tomato):
2-methylbutanoyl-CoA + 4-(3-methylbutanoyl)sucrose ⟶ 3-(2-methylbutanoyl)-4-(3-methylbutanoyl)sucrose + coenzyme A
- monoacylsucrose biosynthesis (Solanum):
2-methylbutanoyl-CoA + sucrose ⟶ 4-(2-methylbutanoyl)sucrose + coenzyme A
- diacylsucrose biosynthesis (Solanum):
2-methylbutanoyl-CoA + 4-(3-methylbutanoyl)sucrose ⟶ 3-(2-methylbutanoyl)-4-(3-methylbutanoyl)sucrose + coenzyme A
- monoacylsucrose biosynthesis (Solanum):
isobutanoyl-CoA + sucrose ⟶ 4-(isobutanoyl)sucrose + coenzyme A
- diacylsucrose biosynthesis (Solanum):
4-(3-methylbutanoyl)sucrose + isovaleryl-CoA ⟶ 3,4-di(3-methylbutanoyl)sucrose + coenzyme A
- adlupulone and adhumulone biosynthesis:
A(H2) + O2 + deoxyadlupulone ⟶ A + H2O + adhumulone
- superpathway of bitter acids biosynthesis:
ATP + coenzyme A + isobutanoate ⟶ AMP + diphosphate + isobutanoyl-CoA
COVID-19 Disease Map(1)
- @COVID-19 Disease
Map["name"]:
2-Methyl-3-acetoacetyl-CoA + Coenzyme A ⟶ Acetyl-CoA + Propanoyl-CoA
PathBank(0)
PharmGKB(0)
1 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。
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