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CHEBI:89719 - propyl butyrate
| Formula | C7H14O2 |
| Net Charge | 0 |
| Average Mass | 130.187 |
| Monoisotopic Mass | 130.09938 |
| SMILES | CCCOC(=O)CCC |
| InChI | InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3 |
| InChIKey | HUAZGNHGCJGYNP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| faeces (UBERON:0001988) | PubMed (19167006) | ||
| Malus domestica (ncbitaxon:3750) | - | DOI (10.1111/j.1745-4557.1990.tb00016.x) | |
| Phoenix canariensis (ncbitaxon:113250) | - | PubMed (24930773) | |
| Spondias mombin (ncbitaxon:80338) | ripe fruit (PO:0007038) | PubMed (16555133) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). insect attractant A chemical that attracts insects. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| propyl butyrate (CHEBI:89719) has functional parent propan-1-ol (CHEBI:28831) |
| propyl butyrate (CHEBI:89719) has role human metabolite (CHEBI:77746) |
| propyl butyrate (CHEBI:89719) has role insect attractant (CHEBI:24850) |
| propyl butyrate (CHEBI:89719) has role plant metabolite (CHEBI:76924) |
| propyl butyrate (CHEBI:89719) is a butyrate ester (CHEBI:50477) |
| IUPAC Name |
|---|
| propyl butanoate |
| Synonyms | Source |
|---|---|
| 1-Propyl butyrate | ChemIDplus |
| Butanoic acid, propyl ester | ChemIDplus |
| Butyric acid, propyl ester | HMDB |
| n-butyric acid n-propyl ester | HMDB |
| n-Propanol butyrate | NIST Chemistry WebBook |
| n-propyl butyrate | HMDB |
| UniProt Name | Source |
|---|---|
| propyl butanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039618 | HMDB |
| Citations |
|---|