Dataset
![molecular Image]()
Picolinic acid
Chemical Info
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) |
|---|---|
| SMILES | OC(=O)c(c1)nccc1 |
| InChI Key | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
| Exact Mass | 123.032 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-Fiocruz-FIO00681 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:37:57.551252 |
| MetadataModified | 2024-01-11T16:37:57.711176 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL72628 | ChEMBL |
| 28747 | ChEBI |
| 6PC | PDBe |
| C10164 | KEGG Ligand |
| 50000407 | BindingDB |
| PICOLA | CCDC |
| J45.682I | Nikkaji |
| ZINC000000039905 | ZINC |
| DTXSID7031903 | EPA CompTox Dashboard |
| 43200 | Brenda |
| PICOLINIC ACID | rxnorm |
| HY-I0660 | MedChemExpress |
| 20198936 | NMRShiftDB |
| MCULE-1025041475 | Mcule |
| 1018 | PubChem |
| 504010 | eMolecules |
| HMDB0002243 | Human Metabolome Database |
| CB8196640 | ChemicalBook |
| MTBLC28747 | Metabolights |
| 43199 | Brenda |
| 4859 | Brenda |
| 145260 | Brenda |
| 15627 | Brenda |
| 88358 | Brenda |
| 43107 | Brenda |
| 15921 | Brenda |
| 37841 | Brenda |
| PD013856 | ProbesDrugs |
| DB05483 | DrugBank |
| QZV2W997JQ | FDA SRS |
| SCHEMBL35208 | SureChEMBL |
| 14747589 | PubChem: Thomson Pharma |
| 32075-31-3 | ACToR |
| 88161-53-9 | ACToR |
| 98-98-6 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |