EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:17578 - toluene
| Formula | C7H8 |
| Net Charge | 0 |
| Average Mass | 92.141 |
| Monoisotopic Mass | 92.06260 |
| SMILES | Cc1ccccc1 |
| InChI | InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | YXFVVABEGXRONW-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | fuel additive Any additive that enhances the efficiency of fuel. |
| Biological Roles: | cholinergic antagonist Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. neurotoxin A poison that interferes with the functions of the nervous system. |
| Applications: | cholinergic antagonist Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. fuel additive Any additive that enhances the efficiency of fuel. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| toluene (CHEBI:17578) has role cholinergic antagonist (CHEBI:48873) |
| toluene (CHEBI:17578) has role fuel additive (CHEBI:62803) |
| toluene (CHEBI:17578) has role neurotoxin (CHEBI:50910) |
| toluene (CHEBI:17578) has role non-polar solvent (CHEBI:48355) |
| toluene (CHEBI:17578) is a methylbenzene (CHEBI:38975) |
| toluene (CHEBI:17578) is a toluenes (CHEBI:27024) |
| toluene (CHEBI:17578) is a volatile organic compound (CHEBI:134179) |
| Incoming Relation(s) |
| 2-methyl-1,4-phenylenediamine (CHEBI:53619) has parent hydride toluene (CHEBI:17578) |
| 2,6-diaminotoluene (CHEBI:76288) has parent hydride toluene (CHEBI:17578) |
| benzyl thiol (CHEBI:137674) has parent hydride toluene (CHEBI:17578) |
| thiobenzaldehyde (CHEBI:137675) has parent hydride toluene (CHEBI:17578) |
| benzyl group (CHEBI:22744) is substituent group from toluene (CHEBI:17578) |
| IUPAC Name |
|---|
| toluene |
| Synonyms | Source |
|---|---|
| methylbenzene | PDBeChem |
| phenylmethane | ChemIDplus |
| Toluen | NIST Chemistry WebBook |
| Toluene | KEGG COMPOUND |
| TOLUENE | PDBeChem |
| toluène | ChEBI |
| UniProt Name | Source |
|---|---|
| toluene | UniProt |
| Citations |
|---|