Docos-13-enyl docos-13-enoate (CHEM058796)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-02 22:44:09 UTC | ||||||||
| Update Date | 2026-05-20 17:16:24 UTC | ||||||||
| Accession Number | CHEM058796 | ||||||||
| Identification | |||||||||
| Common Name | Docos-13-enyl docos-13-enoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Docos-13-enyl docos-13-enoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules and has the chemical formula C44H84O2. With an average molecular weight of 645.15 g/mol, Docos-13-enyl docos-13-enoate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C44H84O2 | ||||||||
| Average Molecular Mass | 645.154 g/mol | ||||||||
| Monoisotopic Mass | 644.647 g/mol | ||||||||
| CAS Registry Number | 84605-12-9 | ||||||||
| IUPAC Name | (13E)-Docos-13-en-1-yl (13E)-docos-13-enoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCC\C=C\CCCCCCCCCCCCOC(=O)CCCCCCCCCCC\C=C\CCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3/b19-17+,20-18+ | ||||||||
| InChI Key | BZUVPTAFNJMPEZ-XPWSMXQVSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
