Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-25 22:33:13 UTC |
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Update Date | 2016-11-09 01:18:08 UTC |
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Accession Number | CHEM025696 |
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Identification |
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Common Name | (Z,Z,Z)-1,8,11,14-Heptadecatetraene |
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Class | Small Molecule |
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Description | Not Available |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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Heptadeca-1,8,11,14-tetraene | MeSH | Aplotaxene | MeSH |
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Chemical Formula | C17H28 |
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Average Molecular Mass | 232.404 g/mol |
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Monoisotopic Mass | 232.219 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | (8Z,11Z,14Z)-heptadeca-1,8,11,14-tetraene |
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Traditional Name | (8Z,11Z,14Z)-heptadeca-1,8,11,14-tetraene |
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SMILES | CC\C=C/C\C=C/C\C=C/CCCCCC=C |
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InChI Identifier | InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6-,14-12-,17-15- |
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InChI Key | JXRNMQDTJAQLAQ-UTZXOHNXSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alkatetraenes. These are acyclic hydrocarbons that contain exactly four carbon-to-carbon double bonds. |
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Kingdom | Organic compounds |
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Super Class | Hydrocarbons |
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Class | Unsaturated hydrocarbons |
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Sub Class | Olefins |
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Direct Parent | Alkatetraenes |
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Alternative Parents | |
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Substituents | - Alkatetraene
- Unsaturated aliphatic hydrocarbon
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0190000000-6773ad5d26b01b4bc5ce | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05o0-6950000000-52b7e01edfacf3d80abf | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f6x-9710000000-e86fe2a8d065b79d060b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-a2aa4a95677161695f63 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0090000000-925a9e3fd105efb9eada | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-015i-5940000000-1bfc86e3e7a7fd93edb8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-7970000000-24014405e544af96de94 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-053r-9400000000-23b30557d15b5427a721 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-069r-9200000000-c4449bf5fa555cf0919d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-72dc422ffec8c4454e2a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0090000000-67b20defc96ba1508bca | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-4920000000-d4d520b38cbfd58ae502 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0302481 |
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FooDB ID | FDB004745 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | C00048320 |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | 4509567 |
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ChEBI ID | 81167 |
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PubChem Compound ID | 5352710 |
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Kegg Compound ID | C17535 |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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