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CHEBI:88838 - 2-ethyl-2-hexenal
| Formula | C8H14O |
| Net Charge | 0 |
| Average Mass | 126.199 |
| Monoisotopic Mass | 126.10447 |
| SMILES | [H]C(=O)C(CC)=C([H])CCC |
| InChI | InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3 |
| InChIKey | PYLMCYQHBRSDND-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | saliva (UBERON:0001836) | PubMed (24421258) | |
| Mandragora autumnalis (ncbitaxon:389206) | Root (BTO:0001188) | DOI (10.1002/cbdv.201900345) |
| Roles Classification |
|---|
| Biological Roles: | 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) |
| 2-ethyl-2-hexenal (CHEBI:88838) has role flavouring agent (CHEBI:35617) |
| 2-ethyl-2-hexenal (CHEBI:88838) has role human metabolite (CHEBI:77746) |
| 2-ethyl-2-hexenal (CHEBI:88838) has role plant metabolite (CHEBI:76924) |
| 2-ethyl-2-hexenal (CHEBI:88838) is a enal (CHEBI:51688) |
| 2-ethyl-2-hexenal (CHEBI:88838) is a monounsaturated fatty aldehyde (CHEBI:61870) |
| Incoming Relation(s) |
| (E)-2-ethyl-2-hexenal (CHEBI:189405) is a 2-ethyl-2-hexenal (CHEBI:88838) |
| (Z)-2-ethyl-2-hexenal (CHEBI:189407) is a 2-ethyl-2-hexenal (CHEBI:88838) |
| IUPAC Name |
|---|
| 2-ethylhex-2-enal |
| Synonyms | Source |
|---|---|
| FEMA 4612 | ChEBI |
| 2-ethyl-3-propylacrolein | ChemIDplus |
| 2-ethylhex-2-en-1-al | ChemIDplus |
| 2-ethyl-2-hexen-1-al | ChemIDplus |
| 2-ethyl-3-propylacrylaldehyde | ChemIDplus |
| α-ethyl-β-propylacrolein | ChemIDplus |
| Citations |
|---|