EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H9NO6 |
| Net Charge | 0 |
| Average Mass | 227.172 |
| Monoisotopic Mass | 227.04299 |
| SMILES | N[C@@H](Cc1cc(C(=O)O)oc(=O)c1)C(=O)O |
| InChI | InChI=1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)/t5-/m0/s1 |
| InChIKey | KQZBVNZAEQASKU-YFKPBYRVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| 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) |
| Stizolobic acid (CHEBI:177665) is a L-α-amino acid (CHEBI:15705) |
| IUPAC Name |
|---|
| 4-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acid |
| Registry Numbers | Sources |
|---|---|
| CAS:15911-87-2 | ChemIDplus |