RefMet Compound Details
MW structure | 51661 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3-Hydroxyisovaleryl-CoA | |
Alternative name | CoA 4:0;3OH,3Me | |
Systematic name | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | |
SMILES | CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(C)(C)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | CoA 5:0;O | View other entries in RefMet with this sum composition |
Exact mass | 867.167649 (neutral) |
Table of KEGG reactions in human pathways involving 3-Hydroxyisovaleryl-CoA
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R04137 | 3-Hydroxyisovaleryl-CoA <=> 3-Methylcrotonyl-CoA + H2O | 3-hydroxyisovaleryl-CoA hydro-lyase |
Table of KEGG human pathways containing 3-Hydroxyisovaleryl-CoA
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa00280 | Valine, leucine and isoleucine degradation | 1 |