Dataset
![molecular Image]()
DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , (2S)-2-aminobutanoic acid, DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid
Chemical Info
| InChI | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) |
|---|---|
| SMILES | CCC(C(=O)O)N |
| InChI Key | QWCKQJZIFLGMSD-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO2 |
| Exact Mass | 103.121 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-PT107580 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:07:17.482922 |
| MetadataModified | 2024-01-11T21:07:17.642309 |
| MetadataPublished | 2008-07-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 476617 | eMolecules |
| CHEMBL55242 | ChEMBL |
| 35621 | ChEBI |
| J60.734G | Nikkaji |
| SCHEMBL23958 | SureChEMBL |
| MCULE-2132009026 | Mcule |
| HMDB0245013 | Human Metabolome Database |
| DLABUT | CCDC |
| 517460 | PubChem |
| 6657 | PubChem |
| PD040938 | ProbesDrugs |
| 15218761 | PubChem: Thomson Pharma |
| 1743 | Brenda |
| 2835-81-6 | ACToR |
| 1492-24-6 | ACToR |
| 3775 | Brenda |
| 92985 | BindingDB |
| 8306QPJ19P | FDA SRS |
| 92370 | Brenda |
| 213166 | Brenda |
| 213163 | Brenda |
| DTXSID90862679 | EPA CompTox Dashboard |
| CB4382245 | ChemicalBook |
| CB8364049 | ChemicalBook |
| 93249 | Brenda |
| 33134 | Brenda |
| 47205 | Brenda |
| 128319 | Brenda |
| 105975 | Brenda |
| 5231 | Brenda |
| 20329 | Brenda |
| MTBLC35621 | Metabolights |
| 29361 | Brenda |
| 10016959 | NMRShiftDB |
| CB7382246 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |