3-Methylglutaconyl-CoA (BioDeep_00000005145)

human metabolite Endogenous

代谢物信息卡片

化学式: C27H42N7O19P3S (893.1468972000001)
中文名称:
谱图信息: 最多检出来源 Macaca mulatta(otcml) 3.23%

分子结构信息

SMILES: C/C(=C\C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)O)/CC(=O)O
InChI: InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-9+

描述信息

3-Methylglutaconyl-CoA is a substrate for Methylglutaconyl-CoA hydratase (mitochondrial), Methylcrotonoyl-CoA carboxylase beta chain (mitochondrial) and Methylcrotonoyl-CoA carboxylase alpha chain (mitochondrial). [HMDB]. 3-Methylglutaconyl-CoA is found in many foods, some of which are cocoa bean, evening primrose, winter squash, and rocket salad (sspecies).
3-Methylglutaconyl-CoA is a substrate for Methylglutaconyl-CoA hydratase (mitochondrial), Methylcrotonoyl-CoA carboxylase beta chain (mitochondrial) and Methylcrotonoyl-CoA carboxylase alpha chain (mitochondrial).
COVID info from COVID-19 Disease Map
Corona-virus
Coronavirus
SARS-CoV-2
COVID-19
SARS-CoV
COVID19
SARS2
SARS

同义名列表

13 个代谢物同义名

(2E)-5-[(2-{3-[(2R)-3-[({[({[(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)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-methyl-5-oxopent-2-enoic acid; (E)-3-Methylglutaconyl-1-coenzyme A; trans-3-Methylglutaconyl-coenzyme A; beta-Methylglutaconyl-coenzyme A; 3-Methylglutaconyl-CoA (achiral); β-Methylglutaconyl-coenzyme A; 3-Methylglutaconyl-coenzyme A; trans-3-methylglutaconyl-CoA; (E)-3-Methylglutaconyl-1-CoA; beta-Methylglutaconyl-CoA; 3-Methylglutaconyl CoA; 3-Methylglutaconyl-CoA; β-Methylglutaconyl-CoA

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:15488
KEGG: C03231
PubChem: 11966117
PubChem: 71448892
PubChem: 1142
HMDB: HMDB0001057
Metlin: METLIN63437
Wikipedia: 3-Methylglutaconyl-CoA
MetaCyc: TRANS-3-METHYL-GLUTACONYL-COA
foodb: FDB022396
chemspider: 10140111
CAS: 6247-73-0
PMhub: MS000017858
PubChem: 6102
LipidMAPS: LMFA07050388
3DMET: B04886
NIKKAJI: J2.741.395A
RefMet: 3-Methylglutaconyl-CoA

分类词条

代谢反应

51 个相关的代谢反应过程信息。

Reactome(45)

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: 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: 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: 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: 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

BioCyc(3)

superpathway of sterol biosynthesis: 4-methyl-2-oxopentanoate + NAD⁺ + coenzyme A ⟶ CO₂ + NADH + isovaleryl-CoA
leucine degradation I: 4-methyl-2-oxopentanoate + NAD⁺ + coenzyme A ⟶ CO₂ + NADH + isovaleryl-CoA
leucine degradation I: 2-oxoglutarate + leu ⟶ 4-methyl-2-oxopentanoate + glt

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
(S)-3-Hydroxy-3-methyl-glutaryl-CoA = 3-Methyl-glutaconyl-CoA + H2O ( Valine,Leucine and Isoleucine degradation ): 3-Methyl-glutaconyl-CoA + H2O ⟶ (S)-3-Hydroxy-3-methyl-glutaryl-CoA

PlantCyc(0)

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)

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。