EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H6O2 |
| Net Charge | 0 |
| Average Mass | 134.134 |
| Monoisotopic Mass | 134.03678 |
| SMILES | C/C=C\C#CC#CC(=O)O |
| InChI | InChI=1S/C8H6O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,1H3,(H,9,10)/b3-2- |
| InChIKey | PLQITNSZGATMPR-IHWYPQMZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6Z-Octene-2,4-diynoic acid (CHEBI:179368) is a medium-chain fatty acid (CHEBI:59554) |
| IUPAC Name |
|---|
| (Z)-oct-6-en-2,4-diynoic acid |
| Manual Xrefs | Databases |
|---|---|
| LMFA01030744 | LIPID MAPS |
| 7822591 | ChemSpider |