EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H14N2O4 |
| Net Charge | 0 |
| Average Mass | 238.243 |
| Monoisotopic Mass | 238.09536 |
| SMILES | NC(=O)CCC(Nc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C11H14N2O4/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H2,12,15)(H,16,17) |
| InChIKey | SKLQABVRGGRTIT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gamma-Glutaminyl-4-hydroxybenzene (CHEBI:168851) is a α-amino acid (CHEBI:33704) |
| IUPAC Name |
|---|
| 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029451 | HMDB |
| 13488471 | ChemSpider |