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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 |
|---|---|---|---|
| Crataegus pinnatifida (ncbitaxon:510735) | fruit (BTO:0000486) | PubMed (15739361) | |
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (21970810) | ||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| urine (BTO:0001419) | PubMed (19246253) | ||
| Mus musculus (ncbitaxon:10090) | - | PubMed (16770722) |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). 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). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| 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 |
|---|---|
| 2-Oxo-3-pentene | ChemIDplus |
| 3-Penten-2-one | HMDB |
| Ethylidene acetone | HMDB |
| Methyl 1-propenyl ketone | HMDB |
| Pent-3-en-2-one | HMDB |
| UniProt Name | Source |
|---|---|
| (Z)-pent-3-ene-2-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0001184 | HMDB |
| Citations |
|---|