Record Information |
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Version | 1.0 |
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Created at | 2020-03-19 00:34:15 UTC |
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Updated at | 2020-11-18 16:35:08 UTC |
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CannabisDB ID | CDB000385 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | Lauric acid |
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Description | Lauric acid also known as dodecylic acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.Lauric acid. is a weakly acidic compound (based on its pKa). Based on a study ( Ref:DOI ) Lauric acid is one of the saturated fatty acids found in the oil of cannabis seeds. |
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Structure | |
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Synonyms | Value | Source |
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1-Undecanecarboxylate | ChEBI | C12 Fatty acid anion | ChEBI | CH3-[CH2]10-COO(-) | ChEBI | Dodecoate | ChEBI | Dodecylate | ChEBI | Duodecyclate | ChEBI | Duodecylate | ChEBI | Laurate | ChEBI | Laurostearate | ChEBI | N-Dodecanoate | ChEBI | Undecane-1-carboxylate | ChEBI | Vulvate | ChEBI | 1-Undecanecarboxylic acid | Generator | Dodecoic acid | Generator | Dodecylic acid | Generator | Duodecyclic acid | Generator | Duodecylic acid | Generator | Lauric acid | Generator | Laurostearic acid | Generator | N-Dodecanoic acid | Generator | Undecane-1-carboxylic acid | Generator | Vulvic acid | Generator | Dodecanoic acid (N-C12:0) | Generator | Dodecanoate | ChEBI | Dodecanoic acid | Generator | Laate | Generator | Laic acid | Generator |
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Chemical Formula | C12H23O2 |
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Average Molecular Weight | 199.31 |
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Monoisotopic Molecular Weight | 199.1698 |
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IUPAC Name | dodecanoate |
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Traditional Name | laurate |
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CAS Registry Number | 143-07-7 |
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SMILES | CCCCCCCCCCCC([O-])=O |
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InChI Identifier | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1 |
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InChI Key | POULHZVOKOAJMA-UHFFFAOYSA-M |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Medium-chain fatty acids |
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Alternative Parents | |
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Substituents | - Medium-chain fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Organic anion
- 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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Not Available | Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 43.8 °C | Wikipedia | Boiling Point | 297.9 °C at 512 mmHg | Wikipedia | Water Solubility | 55 mg/L at 20 °C | Wikipedia | logP | 4.6 | Wikipedia |
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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 | splash10-0udr-0960000000-3e1846923458f5bb9529 | 2015-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0zg3-4930000000-414993f3db6de0f0b3bb | 2015-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9200000000-35b840908e5424a76b65 | 2015-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-bf0996263147bd90d4fb | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-052b-0900000000-d85dd53fb13261fa3515 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a59-5900000000-3c1ae0ab327e98ffd30a | 2015-09-15 | 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 | DODECANOATE |
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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 | 4149208 |
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PDB ID | Not Available |
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ChEBI ID | 18262 |
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References |
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General References | Not Available |
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