EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H13NO3 |
| Net Charge | 0 |
| Average Mass | 171.196 |
| Monoisotopic Mass | 171.08954 |
| SMILES | CCC/C=C/C(=O)[C@H](N)C(=O)O |
| InChI | InChI=1S/C8H13NO3/c1-2-3-4-5-6(10)7(9)8(11)12/h4-5,7H,2-3,9H2,1H3,(H,11,12)/b5-4+/t7-/m0/s1 |
| InChIKey | HCVLYTBGMWNSRM-KPJROHGDSA-N |
| 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) |
| trans-2-hexenoylglycine (CHEBI:233941) is a α-amino acid (CHEBI:33704) |