| 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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