Dataset
![molecular Image]()
3-Methyl-2-oxobutyric acid, 3-Methyl-2-oxobutyric acid sodium salt, alpha-Ketoisovaleric acid, 3-Methyl-2-oxobutanoic acid, 3-methyl-2-oxobutyrate, 2-ketoisovalerate, 2-Oxo-3-methylbutanoate, 2-Keto-3-methylbutyric acid, Ketovaline, 2-Oxoisopentanoate
Chemical Info
| InChI | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) |
|---|---|
| SMILES | CC(C)C(=O)C(=O)O |
| InChI Key | QHKABHOOEWYVLI-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.116 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS068607 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:07:58.071264 |
| MetadataModified | 2025-02-09T19:09:11.105224 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| KIV | PDBe |
| CHEMBL146554 | ChEMBL |
| 16530 | ChEBI |
| HY-W006057 | MedChemExpress |
| 50390989 | BindingDB |
| DTXSID6061078 | EPA CompTox Dashboard |
| LMFA01020274 | LipidMaps |
| ZINC000001532553 | ZINC |
| J39.558G | Nikkaji |
| 2246 | Brenda |
| CB1501953 | ChemicalBook |
| C00141 | KEGG Ligand |
| DB04074 | DrugBank |
| 15315384 | PubChem: Thomson Pharma |
| 60021114 | NMRShiftDB |
| PD006500 | ProbesDrugs |
| 34P71D50E0 | FDA SRS |
| 759-05-7 | ACToR |
| 253496 | Brenda |
| 5747767 | eMolecules |
| MTBLC16530 | Metabolights |
| 136122 | Brenda |
| 7482 | Brenda |
| 758 | Brenda |
| 128290 | Brenda |
| 1854 | Brenda |
| 829 | Brenda |
| 97608 | Brenda |
| 135941 | Brenda |
| 19740 | Brenda |
| 91080 | Brenda |
| 3156 | Brenda |
| 1270 | Brenda |
| 32995 | Brenda |
| 175250 | Brenda |
| 3591 | Brenda |
| HMDB0000019 | Human Metabolome Database |
| 91169 | Brenda |
| 49 | PubChem |
| SCHEMBL42329 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |