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CHEBI:89540 - methyl propenyl ketone
| Formula | C5H8O |
| Net Charge | 0 |
| Average Mass | 84.118 |
| Monoisotopic Mass | 84.05751 |
| SMILES | CC=CC(C)=O |
| InChI | InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3 |
| InChIKey | LABTWGUMFABVFG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| faeces (UBERON:0001988) | PubMed (21970810) | ||
| urine (BTO:0001419) | PubMed (19246253) | ||
| Crataegus pinnatifida (ncbitaxon:510735) | fruit (BTO:0000486) | PubMed (15739361) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (16770722) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. EC 1.14.13.39 (nitric oxide synthase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39). |
| Application: | biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl propenyl ketone (CHEBI:89540) has role biomarker (CHEBI:59163) |
| methyl propenyl ketone (CHEBI:89540) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908) |
| methyl propenyl ketone (CHEBI:89540) has role human urinary metabolite (CHEBI:84087) |
| methyl propenyl ketone (CHEBI:89540) has role mouse metabolite (CHEBI:75771) |
| methyl propenyl ketone (CHEBI:89540) has role plant metabolite (CHEBI:76924) |
| methyl propenyl ketone (CHEBI:89540) is a enone (CHEBI:51689) |
| Incoming Relation(s) |
| (3E)-pent-3-en-2-one (CHEBI:145276) is a methyl propenyl ketone (CHEBI:89540) |
| IUPAC Name |
|---|
| pent-3-en-2-one |
| Synonyms | Source |
|---|---|
| Ethylidene acetone | HMDB |
| Methyl 1-propenyl ketone | HMDB |
| 3-Penten-2-one | HMDB |
| 2-Oxo-3-pentene | ChemIDplus |
| Pent-3-en-2-one | HMDB |
| UniProt Name | Source |
|---|---|
| (Z)-pent-3-ene-2-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0001184 | HMDB |
| Citations |
|---|