Dataset
![molecular Image]()
Kynurenic acid
Chemical Info
| InChI | InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) |
|---|---|
| SMILES | OC(=O)c(c1)nc(c2)c(ccc2)c(O)1 |
| InChI Key | HCZHHEIFKROPDY-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
| Exact Mass | 189.043 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-FIO00648 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:36:33.276765 |
| MetadataModified | 2024-01-11T16:36:33.451936 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PD001631 | ProbesDrugs |
| KYA | PDBe |
| H030S2S85J | FDA SRS |
| LSM-24962 | LINCS |
| 15091858 | PubChem: Thomson Pharma |
| 492-27-3 | ACToR |
| 15364517 | PubChem: Thomson Pharma |
| 13593-94-7 | ACToR |
| CB1721957 | ChemicalBook |
| J377.339F | Nikkaji |
| 50233945 | BindingDB |
| HMDB0000715 | Human Metabolome Database |
| 1323 | Brenda |
| 51392 | Brenda |
| DB11937 | DrugBank |
| MTBLC18344 | Metabolights |
| 2867735 | eMolecules |
| 524689 | eMolecules |
| 20179948 | NMRShiftDB |
| 3845 | PubChem |
| MCULE-4310803796 | Mcule |
| SCHEMBL22979 | SureChEMBL |
| CHEMBL299155 | ChEMBL |
| C01717 | KEGG Ligand |
| 22395914 | PubChem: Drugs of the Future |
| 2918 | Guide to Pharmacology |
| 18344 | ChEBI |
| HY-100806 | MedChemExpress |
| 4824 | Brenda |
| DTXSID8075417 | EPA CompTox Dashboard |
| 81975 | BindingDB |
| J6.059C | Nikkaji |
| FOHTOO | CCDC |
| ZINC000008584773 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |