EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:82576 - 1-(3-Pyridinyl)-1,4-butanediol
| Formula | C9H13NO2 |
| Net Charge | 0 |
| Average Mass | 167.208 |
| Monoisotopic Mass | 167.09463 |
| SMILES | OCCCC(O)c1cccnc1 |
| InChI | InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2 |
| InChIKey | RGJHRVMTLGLFPX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(3-Pyridinyl)-1,4-butanediol (CHEBI:82576) is a pyridines (CHEBI:26421) |
| Manual Xrefs | Databases |
|---|---|
| C19582 | KEGG COMPOUND |
| HMDB0062266 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:76014-83-0 | KEGG COMPOUND |