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CHEBI:88845 - methyl cyclohexanecarboxylate
| Formula | C8H14O2 |
| Net Charge | 0 |
| Average Mass | 142.198 |
| Monoisotopic Mass | 142.09938 |
| SMILES | COC(=O)C1CCCCC1 |
| InChI | InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| InChIKey | ZQWPRMPSCMSAJU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (23454028) |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl cyclohexanecarboxylate (CHEBI:88845) has functional parent cyclohexanecarboxylic acid (CHEBI:36096) |
| methyl cyclohexanecarboxylate (CHEBI:88845) has role flavouring agent (CHEBI:35617) |
| methyl cyclohexanecarboxylate (CHEBI:88845) has role human metabolite (CHEBI:77746) |
| methyl cyclohexanecarboxylate (CHEBI:88845) is a methyl ester (CHEBI:25248) |
| methyl cyclohexanecarboxylate (CHEBI:88845) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| methyl cyclohexanecarboxylate |
| Synonyms | Source |
|---|---|
| methyl hexahydrobenzoate | ChemIDplus |
| cyclohexanecarboxylic acid, methyl ester | ChemIDplus |
| methyl ester of cyclohexanecarboxylic acid | HMDB |
| methyl cyclohexylcarboxylate | ChemIDplus |
| hexahydrobenzoic acid methyl ester | ChemIDplus |
| methyl cyclohexylformate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031343 | HMDB |
| FDB003407 | FooDB |
| 19536 | ChemSpider |
| Citations |
|---|