EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14BrN3O |
| Net Charge | 0 |
| Average Mass | 308.179 |
| Monoisotopic Mass | 307.03202 |
| SMILES | Cc1cc(NCCO)nc(-c2ccc(Br)cc2)n1 |
| InChI | InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17) |
| InChIKey | DUKPGOOUJNUIOI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryctolagus cuniculus (ncbitaxon:9986) | longissimus thoracis (BTO:0001651) | MetaboLights (MTBLS8957) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| AS-1269574 (CHEBI:229242) is a organobromine compound (CHEBI:37141) |
| IUPAC Name |
|---|
| 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol |
| Manual Xrefs | Databases |
|---|---|
| 4490008 | ChemSpider |