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CHEBI:89828 - propyl propionate
| Formula | C6H12O2 |
| Net Charge | 0 |
| Average Mass | 116.160 |
| Monoisotopic Mass | 116.08373 |
| SMILES | CCCOC(=O)CC |
| InChI | InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 |
| InChIKey | MCSINKKTEDDPNK-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (21970810) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (25307263) |
| Roles Classification |
|---|
| Biological Roles: | fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). |
| Application: | biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| propyl propionate (CHEBI:89828) has functional parent propan-1-ol (CHEBI:28831) |
| propyl propionate (CHEBI:89828) has role biomarker (CHEBI:59163) |
| propyl propionate (CHEBI:89828) has role fungal metabolite (CHEBI:76946) |
| propyl propionate (CHEBI:89828) has role human metabolite (CHEBI:77746) |
| propyl propionate (CHEBI:89828) has role rat metabolite (CHEBI:86264) |
| propyl propionate (CHEBI:89828) is a propanoate ester (CHEBI:36243) |
| IUPAC Name |
|---|
| propyl propanoate |
| Synonyms | Source |
|---|---|
| Propanoic acid, propyl ester | HMDB |
| n-Propyl n-propionate | HMDB |
| Propionic acid, propyl ester | HMDB |
| n-Propyl propanoate | ChemIDplus |
| Propionic acid n-propyl ester | NIST Chemistry WebBook |
| Propyl ester of propanoic acid | HMDB |
| UniProt Name | Source |
|---|---|
| propyl propanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0030059 | HMDB |
| Propyl_propanoate | Wikipedia |
| CN101225018 | Patent |
| Citations |
|---|