EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N2O6 |
| Net Charge | 0 |
| Average Mass | 346.339 |
| Monoisotopic Mass | 346.11649 |
| SMILES | O=C(O)C1=C/C(=C/C=N\CCc2ccc(O)c(O)c2)CC(C(=O)O)N1 |
| InChI | InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6- |
| InChIKey | PDKFHZWVCCZUIF-YJHWCPSBSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Miraxanthin-V (CHEBI:6948) is a catecholamine (CHEBI:33567) |
| Synonym | Source |
|---|---|
| Miraxanthin-V | KEGG COMPOUND |