Dataset
![molecular Image]()
Isonicotinamide
Chemical Info
| InChI | InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9) |
|---|---|
| SMILES | NC(=O)c(c1)ccnc1 |
| InChI Key | VFQXVTODMYMSMJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
| Exact Mass | 122.048 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003232 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T17:26:03.174233 |
| MetadataModified | 2025-02-09T14:31:04.684927 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 6031 | ChEBI |
| C02421 | KEGG Ligand |
| J68.789H | Nikkaji |
| EHOWIH | CCDC |
| HMDB0253663 | Human Metabolome Database |
| CHEMBL271717 | ChEMBL |
| ISONIACINAMIDE | rxnorm |
| LSM-37066 | LINCS |
| DTXSID3020756 | EPA CompTox Dashboard |
| 15074 | PubChem |
| 15016545 | PubChem: Thomson Pharma |
| SCHEMBL44995 | SureChEMBL |
| 1453-82-3 | ACToR |
| PD065622 | ProbesDrugs |
| 4H3BH6YX9Q | FDA SRS |
| 523723 | eMolecules |
| MCULE-7439588553 | Mcule |
| 12567 | Brenda |
| 154961 | Brenda |
| CB8259608 | ChemicalBook |
| ZINC000000391130 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |