EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:28665 - 3-fluorobenzoate
| Formula | C7H4FO2 |
| Net Charge | -1 |
| Average Mass | 139.105 |
| Monoisotopic Mass | 139.02008 |
| SMILES | O=C([O-])c1cccc(F)c1 |
| InChI | InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)/p-1 |
| InChIKey | MXNBDFWNYRNIBH-UHFFFAOYSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-fluorobenzoate (CHEBI:28665) has functional parent benzoate (CHEBI:16150) |
| 3-fluorobenzoate (CHEBI:28665) is a fluorobenzoate (CHEBI:24070) |
| 3-fluorobenzoate (CHEBI:28665) is conjugate base of 3-fluorobenzoic acid (CHEBI:20021) |
| Incoming Relation(s) |
| 3-fluorobenzoyl-AMP(1−) (CHEBI:188480) has functional parent 3-fluorobenzoate (CHEBI:28665) |
| 3-fluorobenzoyl-CoA(4−) (CHEBI:188474) has functional parent 3-fluorobenzoate (CHEBI:28665) |
| 3-fluorobenzoic acid (CHEBI:20021) is conjugate acid of 3-fluorobenzoate (CHEBI:28665) |
| IUPAC Name |
|---|
| 3-fluorobenzoate |
| Synonyms | Source |
|---|---|
| 3-Fluorobenzoate | KEGG COMPOUND |
| m-fluorobenzoate | ChEBI |
| 3-Fluorobenzoate | UM-BBD |
| UniProt Name | Source |
|---|---|
| 3-fluorobenzoate | UniProt |