EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17NO3 |
| Net Charge | 0 |
| Average Mass | 223.272 |
| Monoisotopic Mass | 223.12084 |
| SMILES | C=C(NC(=O)/C=C/C=C\CC(C)C)C(=O)O |
| InChI | InChI=1S/C12H17NO3/c1-9(2)7-5-4-6-8-11(14)13-10(3)12(15)16/h4-6,8-9H,3,7H2,1-2H3,(H,13,14)(H,15,16)/b5-4-,8-6+ |
| InChIKey | VUFKFLMLIJLTQM-GSGSLZOQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium (ncbitaxon:5149) | - | PubMed (24422674) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Corallorazine C (CHEBI:203608) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| 2-[[(2E,4Z)-7-methylocta-2,4-dienoyl]amino]prop-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 58825865 | ChemSpider |