| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:27:46 UTC |
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| Updated at | 2021-01-06 19:07:02 UTC |
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| CannabisDB ID | CDB006084 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 6Z,9Z,12Z-Eicosatriene |
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| Description | 6Z,9Z,12Z-eicosatriene belongs to the class of organic compounds known as alkatrienes. These are acyclic hydrocarbons that contain exactly three carbon-to-carbon double bonds. Thus, 6Z,9Z,12Z-eicosatriene is considered to be a hydrocarbon lipid molecule. 6Z,9Z,12Z-eicosatriene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 6Z,9Z,12Z-eicosatriene is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C20H36 |
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| Average Molecular Weight | 276.51 |
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| Monoisotopic Molecular Weight | 276.2817 |
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| IUPAC Name | (6Z,9Z,12Z)-icosa-6,9,12-triene |
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| Traditional Name | (6Z,9Z,12Z)-icosa-6,9,12-triene |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCC\C=C/C\C=C/C\C=C/CCCCC |
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| InChI Identifier | InChI=1S/C20H36/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h11,13,16-19H,3-10,12,14-15,20H2,1-2H3/b13-11-,18-16-,19-17- |
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| InChI Key | JYLZAJNZMATBKX-DAWNVERKSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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|
Not Available | | 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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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | Not Available |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 56936136 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | Not Available |
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