EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H18N2O5 |
| Net Charge | 0 |
| Average Mass | 294.307 |
| Monoisotopic Mass | 294.12157 |
| SMILES | O=C(O)C(Cc1ccc(O)cc1)NC(=O)C1CC(O)CN1 |
| InChI | InChI=1S/C14H18N2O5/c17-9-3-1-8(2-4-9)5-12(14(20)21)16-13(19)11-6-10(18)7-15-11/h1-4,10-12,15,17-18H,5-7H2,(H,16,19)(H,20,21) |
| InChIKey | KYOLCXJAAOGMSB-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 Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hydroxyprolyl-Tyrosine (CHEBI:168770) is a peptide (CHEBI:16670) |
| IUPAC Name |
|---|
| 3-(4-hydroxyphenyl)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0028875 | HMDB |
| 35032810 | ChemSpider |