EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H13NO6 |
| Net Charge | 0 |
| Average Mass | 255.226 |
| Monoisotopic Mass | 255.07429 |
| SMILES | COC(=O)C(CO)NC(=O)c1cccc(O)c1O |
| InChI | InChI=1S/C11H13NO6/c1-18-11(17)7(5-13)12-10(16)6-3-2-4-8(14)9(6)15/h2-4,7,13-15H,5H2,1H3,(H,12,16) |
| InChIKey | NQIZIOGKLJAGSU-UHFFFAOYSA-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) |
| Methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate (CHEBI:182862) is a N-acylglycine (CHEBI:16180) |
| IUPAC Name |
|---|
| methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate |
| Manual Xrefs | Databases |
|---|---|
| 29814333 | ChemSpider |