EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H23N3O7 |
| Net Charge | 0 |
| Average Mass | 417.418 |
| Monoisotopic Mass | 417.15360 |
| SMILES | NC(=O)[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O |
| InChI | InChI=1S/C20H23N3O7/c21-18(28)13(23-20(30)12-6-4-9-15(25)17(12)27)7-1-2-10-22-19(29)11-5-3-8-14(24)16(11)26/h3-6,8-9,13,24-27H,1-2,7,10H2,(H2,21,28)(H,22,29)(H,23,30)/t13-/m0/s1 |
| InChIKey | NCOSLLNHKCFPFO-ZDUSSCGKSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide (CHEBI:138827) is a N-acylglycine (CHEBI:16180) |
| Manual Xrefs | Databases |
|---|---|
| C06447 | KEGG COMPOUND |