Dataset
![molecular Image]()
alpha,alpha-Dimethylglycine, 2-Methylalanine, alpha-Aminoisobutyric acid, 2-Amino-2-methylpropanoate, Aib, 2-Aminoisobutyric acid
Chemical Info
| InChI | InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) |
|---|---|
| SMILES | CC(C)(C(=O)O)N |
| InChI Key | FUOOLUPWFVMBKG-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-PS037503 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:06:42.150274 |
| MetadataModified | 2024-01-11T21:06:42.307141 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HMDB0001906 | Human Metabolome Database |
| 124797 | Brenda |
| 8308 | Brenda |
| 124068 | Brenda |
| 22085 | Brenda |
| 172123 | Brenda |
| 29366 | Brenda |
| 1852 | Brenda |
| CB2182809 | ChemicalBook |
| 476903 | eMolecules |
| 15119710 | PubChem: Thomson Pharma |
| CHEMBL1230906 | ChEMBL |
| 18389-23-6 | ACToR |
| PD007536 | ProbesDrugs |
| 62-57-7 | ACToR |
| 5245672 | PubChem |
| 193090 | ChEBI |
| 1E7ZW41IQU | FDA SRS |
| 6119 | PubChem |
| SCHEMBL23312 | SureChEMBL |
| MCULE-4254251799 | Mcule |
| 20096820 | NMRShiftDB |
| 27971 | ChEBI |
| AIB | PDBe |
| C03665 | KEGG Ligand |
| DB02952 | DrugBank |
| 224814 | Brenda |
| 36629 | BindingDB |
| J38.908K | Nikkaji |
| HY-Y0124 | MedChemExpress |
| AMMPRA | CCDC |
| ZINC000000901801 | ZINC |
| DTXSID0058772 | EPA CompTox Dashboard |
| LMFA01100053 | LipidMaps |
| The data in this table is sourced from UniChem at EBI. | |