Dataset
![molecular Image]()
Niacin
Chemical Info
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
|---|---|
| SMILES | OC(=O)c(c1)cncc1 |
| InChI Key | PVNIIMVLHYAWGP-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-FIO00517 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:39:34.223872 |
| MetadataModified | 2024-01-11T16:39:34.406669 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 117629482 | PubChem |
| DTXSID1020932 | EPA CompTox Dashboard |
| 2835 | DrugCentral |
| ZINC000000001795 | ZINC |
| 23515 | BindingDB |
| NIACIN | DailyMed |
| NIACOR | rxnorm |
| NIACIN | rxnorm |
| NIASPAN | rxnorm |
| NIACIN | clinicaltrials |
| NIACOR | clinicaltrials |
| WAMPOCAP | clinicaltrials |
| NIASPAN | clinicaltrials |
| NICOTINIC ACID | clinicaltrials |
| NICOLAR | clinicaltrials |
| HY-B0143 | MedChemExpress |
| 43365 | Brenda |
| 221654 | Brenda |
| niacin | DailyMed |
| CB0276607 | ChemicalBook |
| 51559 | Brenda |
| HMDB0001488 | Human Metabolome Database |
| 1282 | Brenda |
| 107144 | Brenda |
| 1029 | Brenda |
| MTBLC15940 | Metabolights |
| 11184 | Brenda |
| 171408 | Brenda |
| 43567 | Brenda |
| 50899 | Brenda |
| 143710 | Brenda |
| 145298 | Brenda |
| 45153 | Brenda |
| 938 | PubChem |
| PD001840 | ProbesDrugs |
| SCHEMBL16147135 | SureChEMBL |
| nicotinic acid | Atlas |
| 2679MF687A | FDA SRS |
| LSM-4676 | LINCS |
| 123574-58-3 | ACToR |
| 59-67-6 | ACToR |
| PA450617 | PharmGKB |
| Niacin(Nicotinic-acid) | Selleck |
| 15146539 | PubChem: Thomson Pharma |
| J2.809F | Nikkaji |
| MCULE-3788394698 | Mcule |
| SCHEMBL1433 | SureChEMBL |
| NICOAC | CCDC |
| 20027733 | NMRShiftDB |
| CHEMBL573 | ChEMBL |
| 15940 | ChEBI |
| 1594 | Guide to Pharmacology |
| 1588 | Guide to Pharmacology |
| DB00627 | DrugBank |
| C00253 | KEGG Ligand |
| 87550957 | PubChem: Drugs of the Future |
| NIO | PDBe |
| SAM002554917 | NIH Clinical Collection |
| 503323 | eMolecules |
| 28295293 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |