| Record Information |
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| Version | 4.0 |
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| Status | Expected but not Quantified |
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| Creation Date | 2012-09-11 18:37:53 UTC |
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| Update Date | 2019-07-23 06:14:31 UTC |
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| HMDB ID | HMDB0033857 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Violet-leaf aldehyde |
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| Description | Violet-leaf aldehyde, also known as (2E,6Z)-2,6-nonadienal or nona-2,6-dienal, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, violet-leaf aldehyde is considered to be a fatty aldehyde lipid molecule. Violet-leaf aldehyde is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Violet-leaf aldehyde is a cucumber, dry, and fatty tasting compound. Outside of the human body, violet-leaf aldehyde has been detected, but not quantified in, several different foods, such as potato, pulses, green vegetables, fruits, and fishes. This could make violet-leaf aldehyde a potential biomarker for the consumption of these foods. Violet-leaf aldehyde is a constituent of cherry, melon, peas, cooked potato, wheat bread, other breads, milk, lean and fatty fish, black tea, oyster, clam and other foods. It is the primary odourant in cucumbers. Present in cucumber juice. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2E,6Z)-2,6-Nonadienal | ChEBI | | (e,Z)-2,6-Nonadienal | ChEBI | | Cucumber aldehyde | ChEBI | | Nona-2,6-dienal | ChEBI | | trans-2,cis-6-Nonadienal | ChEBI | | Violet leaf aldehyde | ChEBI | | (2E,6Z)-Nona-2,6-dien-1-al | HMDB | | (2E,6Z)-Nona-2,6-dienal | HMDB | | (2E,6Z)-Nonadienal | HMDB | | (e)-2,(Z)-6-Nonadienal | HMDB | | (e,Z)-Nona-2,6-dienal | HMDB | | 2,6-(e,Z)-Nonadienal | HMDB | | 2-(trans)-6-(cis)-Nonadienal | HMDB | | 2-trans-6-cis-Nonadien-1-al | HMDB | | 2-trans-6-cis-Nonadienal | HMDB | | FEMA 3377 | HMDB | | Nona-2(e),6(Z)-dienal | HMDB | | Nona-2,6(e,Z)-dienal | HMDB | | Nona-2-trans-6-cis-dienal | HMDB | | Nona-2t,6C-dienal | HMDB | | Nona-trans-2,cis-6-dienal | HMDB | | Nonadien-(2t.6c)-al-(1) | HMDB | | Nonadien-2(trans)-6-(cis)-al | HMDB | | T2,C6-Nonadienal | HMDB | | trans,cis-2,6-Nonadien-1-al | HMDB | | trans,cis-2,6-Nonadienal | HMDB | | trans-2-cis-6-Nonadienal | HMDB | | Z)-2,6-Nonadienal | HMDB | | 2,6-Nonadienal, (e,e)-isomer | MeSH | | 2,6-Nonadienal | MeSH | | 2,6-Nonadienal, (e,Z)-isomer | MeSH |
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| Chemical Formula | C9H14O |
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| Average Molecular Weight | 138.2069 |
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| Monoisotopic Molecular Weight | 138.10446507 |
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| IUPAC Name | (2E,6Z)-nona-2,6-dienal |
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| Traditional Name | (E,Z)-2,6-nonadienal |
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| CAS Registry Number | 557-48-2 |
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| SMILES | CC\C=C/CC\C=C\C=O |
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| InChI Identifier | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+ |
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| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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| Direct Parent | Medium-chain aldehydes |
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| Alternative Parents | |
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| Substituents | - Medium-chain aldehyde
- Enal
- Alpha,beta-unsaturated aldehyde
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Disposition | Route of exposure: Biological location: Source: |
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| Role | Industrial application: Biological role: |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-9100000000-11eafaf48649fda71ba5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-2900000000-5b68984796a69b656625 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0079-9500000000-a06b0ff5cc696d2ad5c3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ktf-9000000000-fcce0a3da84424696cbc | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-fd081e72d328181ddf67 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-1900000000-4a10e15a630365ec4599 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9200000000-88b1eef5d11911d77490 | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-0006-9000000000-92abc75329c237927996 | Spectrum |
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