| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:25:51 UTC |
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| Updated at | 2021-01-06 19:07:02 UTC |
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| CannabisDB ID | CDB006065 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Palmitolenic acid |
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| Description | Palmitolenic acid, also known as 9,12,15-Hexadecatrienoic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 9,12,15-Hexadecatrienoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 9,12,15-Hexadecatrienoic acid 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 | | Value | Source |
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| 9,12,15-Hexadecatrienoate | Generator |
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| Chemical Formula | C16H26O2 |
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| Average Molecular Weight | 250.38 |
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| Monoisotopic Molecular Weight | 250.1933 |
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| IUPAC Name | (9E,12E)-hexadeca-9,12,15-trienoic acid |
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| Traditional Name | (9E,12E)-hexadeca-9,12,15-trienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | OC(=O)CCCCCCC\C=C\C\C=C\CC=C |
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| InChI Identifier | InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8H,1,3,6,9-15H2,(H,17,18)/b5-4+,8-7+ |
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| InChI Key | OAXMYGCFSSOPQP-AOSYACOCSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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 | Long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Long-chain fatty acid
- Unsaturated 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
- 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 | 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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