Dataset
Quinolinic acid
Chemical Info
InChI | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
---|---|
SMILES | OC(=O)c(c1)c(ncc1)C(O)=O |
InChI Key | GJAWHXHKYYXBSV-UHFFFAOYSA-N |
Molecular Formula | C7H5NO4 |
Exact Mass | 167.022 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-FIO00679 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:36:01.528605 |
MetadataModified | 2024-01-11T16:36:01.720202 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
9253 | Brenda |
106051 | Brenda |
HMDB0000232 | Human Metabolome Database |
CB7316162 | ChemicalBook |
CB4316161 | ChemicalBook |
189629 | Brenda |
F6F0HK1URN | FDA SRS |
MTBLC16675 | Metabolights |
18291 | Brenda |
1765 | Brenda |
2500 | Brenda |
15120397 | PubChem: Thomson Pharma |
PD001385 | ProbesDrugs |
SCHEMBL69230 | SureChEMBL |
89-00-9 | ACToR |
20032289 | NMRShiftDB |
MCULE-7041185901 | Mcule |
1066 | PubChem |
489903 | eMolecules |
16675 | ChEBI |
NTM | PDBe |
C03722 | KEGG Ligand |
CHEMBL286204 | ChEMBL |
DB01796 | DrugBank |
HY-100807 | MedChemExpress |
43019 | Brenda |
DTXSID8041327 | EPA CompTox Dashboard |
ZINC000000331671 | ZINC |
J4.298F | Nikkaji |
QUICNA | CCDC |
26115 | BindingDB |
The data in this table is sourced from UniChem at EBI. |