Dataset
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) |
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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 |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00644 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:12.682318 |
MetadataModified | 2024-01-11T16:35:12.863716 |
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. |