EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:229903 - 4-[(e)-2-{[2-(4-hydroxyphenyl)ethyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
| Formula | C17H18N2O5 |
| Net Charge | 0 |
| Average Mass | 330.340 |
| Monoisotopic Mass | 330.12157 |
| SMILES | O=C(O)C1=NC(C(=O)O)CC(/C=C/NCCc2ccc(O)cc2)=C1 |
| InChI | InChI=1S/C17H18N2O5/c20-13-3-1-11(2-4-13)5-7-18-8-6-12-9-14(16(21)22)19-15(10-12)17(23)24/h1-4,6,8-9,15,18,20H,5,7,10H2,(H,21,22)(H,23,24)/b8-6+ |
| InChIKey | WMBBIDQRFOUIDC-SOFGYWHQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(e)-2-{[2-(4-hydroxyphenyl)ethyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid (CHEBI:229903) has functional parent α-amino acid (CHEBI:33704) |
| 4-[(e)-2-{[2-(4-hydroxyphenyl)ethyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid (CHEBI:229903) is a organonitrogen compound (CHEBI:35352) |
| 4-[(e)-2-{[2-(4-hydroxyphenyl)ethyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid (CHEBI:229903) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 4-[(E)-2-[2-(4-hydroxyphenyl)ethylamino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid |