RefMet Compound Details
MW structure | 50103 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3-Methylbut-2-enoyl-CoA | |
Alternative name | CoA 4:1;3Me | |
Systematic name | 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} | |
SMILES | CC(=CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)O)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | CoA 5:1 | View other entries in RefMet with this sum composition |
Exact mass | 849.157084 (neutral) |
Table of KEGG reactions in human pathways involving 3-Methylbut-2-enoyl-CoA
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R04095 | 3-Methylbutanoyl-CoA + FAD <=> 3-Methylcrotonyl-CoA + FADH2 | 3-methylbutanoyl-CoA:electron-transfer flavoprotein 2,3-oxidoreductase |
R04137 | 3-Hydroxyisovaleryl-CoA <=> 3-Methylcrotonyl-CoA + H2O | 3-hydroxyisovaleryl-CoA hydro-lyase |
R04138 | ATP + 3-Methylcrotonyl-CoA + HCO3- <=> ADP + Orthophosphate + 3-Methylglutaconyl-CoA | 3-Methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming) |
Table of KEGG human pathways containing 3-Methylbut-2-enoyl-CoA
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa00280 | Valine, leucine and isoleucine degradation | 3 |