BMFYS4CAp014
From Metabolomics.JP
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMFY Fatty acyl 脂肪酸 : BMFYS straight chain 鎖状 (290 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 541-50-43;483-11-2 |
| KEGG | C00164 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMFYS4CAp014.mol |
| Acetoacetate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3-Oxobutanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C4H6O3 |
| Exact Mass | 102.0316 |
| Average Mass | 102.0886 |
| SMILES | CC(=O)CC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
- (S) -3-Hydroxy-3-methyl-glutaryl-CoA ⇔ this
- this ⇔ 2- (2-Oxopropylsulfanyl) ethanesulfonic acid
- this ⇔ Acetone
- this ⇔ S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxobutanethioate
- (R)-3-Hydroxy-butanoic acid ⇔ this
- S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxobutanethioate ⇔ this (2nd)
- 4-Fumaryl-acetoacetic acid ⇔ this
- CO2 ⇔ this
