EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H13NO2 |
| Net Charge | 0 |
| Average Mass | 167.208 |
| Monoisotopic Mass | 167.09463 |
| SMILES | NC(CC1=CCC=CC1)C(=O)O |
| InChI | InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5,8H,3-4,6,10H2,(H,11,12) |
| InChIKey | FSZMHEMPLAVBQZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| 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) |
| DL-2,5-Dihydrophenylalanine (CHEBI:231250) is a α-amino acid (CHEBI:33704) |
| IUPAC Name |
|---|
| 2-amino-3-cyclohexa-1,4-dien-1-ylpropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0251507 | HMDB |
| 176961 | ChemSpider |