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CHEBI:89945 - 1-penten-3-one
| Formula | C5H8O |
| Net Charge | 0 |
| Average Mass | 84.118 |
| Monoisotopic Mass | 84.05751 |
| SMILES | C=CC(=O)CC |
| InChI | InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3 |
| InChIKey | JLIDVCMBCGBIEY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (21386183) | ||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| Olea europaea (ncbitaxon:4146) | - | PubMed (34020455) |
| Roles Classification |
|---|
| Biological Roles: | genotoxin A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-penten-3-one (CHEBI:89945) has role flavouring agent (CHEBI:35617) |
| 1-penten-3-one (CHEBI:89945) has role genotoxin (CHEBI:50902) |
| 1-penten-3-one (CHEBI:89945) has role human metabolite (CHEBI:77746) |
| 1-penten-3-one (CHEBI:89945) has role plant metabolite (CHEBI:76924) |
| 1-penten-3-one (CHEBI:89945) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| pent-1-en-3-one |
| Synonyms | Source |
|---|---|
| C2H5COCH=CH2 | NIST Chemistry WebBook |
| propionylethylene | HMDB |
| ethylvinylketone | ChemIDplus |
| penten-3-one | HMDB |
| vinyl ethyl ketone | HMDB |
| 4-penten-3-one | HMDB |
| UniProt Name | Source |
|---|---|
| pent-1-en-3-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C00035785 | KNApSAcK |
| HMDB0031607 | HMDB |
| FDB008243 | FooDB |
| 14653 | ChemSpider |
| CPD-13218 | MetaCyc |
| LMFA12000069 | LIPID MAPS |
| Citations |
|---|