Dataset
![molecular Image]()
2-Oxobutyrate, Propionylformic acid, 3-Methylpyruvic acid, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid
Chemical Info
| InChI | InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7) |
|---|---|
| SMILES | CCC(=O)C(=O)O |
| InChI Key | TYEYBOSBBBHJIV-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
| Exact Mass | 102.089 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-PS062301 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:30:02.825313 |
| MetadataModified | 2025-02-09T19:06:40.639791 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 58 | PubChem |
| 60020607 | NMRShiftDB |
| PD006009 | ProbesDrugs |
| 14747426 | PubChem: Thomson Pharma |
| 600-18-0 | ACToR |
| B92RB6HY1A | FDA SRS |
| 530269 | eMolecules |
| SCHEMBL24128 | SureChEMBL |
| 144429 | Brenda |
| 29733 | Brenda |
| 32994 | Brenda |
| 5386 | Brenda |
| 30586 | Brenda |
| 3288 | Brenda |
| 78575 | Brenda |
| 91159 | Brenda |
| 2720 | Brenda |
| 45129 | Brenda |
| 95796 | Brenda |
| 29397 | Brenda |
| 12315 | Brenda |
| HMDB0000005 | Human Metabolome Database |
| CB3199671 | ChemicalBook |
| MTBLC30831 | Metabolights |
| 371 | Brenda |
| 136233 | Brenda |
| 48620 | Brenda |
| 9891 | Brenda |
| HY-W007926 | MedChemExpress |
| J2.726J | Nikkaji |
| MCULE-8360398438 | Mcule |
| DTXSID9060524 | EPA CompTox Dashboard |
| LMFA01060002 | LipidMaps |
| ZINC000001532540 | ZINC |
| DB04553 | DrugBank |
| C00109 | KEGG Ligand |
| CHEMBL171246 | ChEMBL |
| 2KT | PDBe |
| 30831 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |