Dataset
![molecular Image]()
Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, 2-trimethylazaniumylacetate, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate
Chemical Info
| InChI | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)[O-] |
| InChI Key | KWIUHFFTVRNATP-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO2 |
| Exact Mass | 117.148 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-PT111520 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:29:08.058296 |
| MetadataModified | 2025-02-09T19:06:52.672314 |
| MetadataPublished | 2008-07-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 481690 | eMolecules |
| glyb | Recon |
| 107-43-7 | ACToR |
| 247 | PubChem |
| PD009238 | ProbesDrugs |
| 3SCV180C9W | FDA SRS |
| SCHEMBL7739 | SureChEMBL |
| MCULE-8745470661 | Mcule |
| 10009018 | NMRShiftDB |
| 17750 | Rhea |
| CB0760102 | ChemicalBook |
| 15850 | Brenda |
| 21728 | Brenda |
| 106210 | Brenda |
| MTBLC17750 | Metabolights |
| 1974 | Brenda |
| 713 | Brenda |
| 105588 | Brenda |
| 106209 | Brenda |
| 137118 | Brenda |
| 105587 | Brenda |
| 56528 | Brenda |
| DB06756 | DrugBank |
| WEMWEQ | CCDC |
| 50103520 | BindingDB |
| 347 | DrugCentral |
| 4550 | Guide to Pharmacology |
| DTXSID8022666 | EPA CompTox Dashboard |
| 15297109 | PubChem: Thomson Pharma |
| 17750 | ChEBI |
| CHEMBL1182 | ChEMBL |
| C00719 | KEGG Ligand |
| The data in this table is sourced from UniChem at EBI. | |