Record Information |
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Version | 1.0 |
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Created at | 2020-03-30 19:01:59 UTC |
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Updated at | 2020-11-18 16:36:54 UTC |
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CannabisDB ID | CDB001947 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | TG(18:2(9Z,12Z)/20:1(13Z)/16:0) |
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Description | TG(18:2(9Z,12Z)/20:1(13Z)/16:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(18:2(9Z,12Z)/20:1(13Z)/16:0) is made up of one 9Z,12Z-octadecadienoyl(R1), one 13Z-eicosenoyl(R2), and one hexadecanoyl(R3). This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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Structure | |
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Synonyms | Value | Source |
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1-linoleoyl-2-paullinoyl-3-palmitoyl-glycerol | SMPDB | TG(18:2/20:1/16:0) | SMPDB | TG(18:2n6/20:1n7/16:0) | SMPDB | TG(18:2w6/20:1w7/16:0) | SMPDB | TG(54:3) | SMPDB | Tag(18:2(9Z,12Z)/20:1(13Z)/16:0) | SMPDB | Tag(18:2/20:1/16:0) | SMPDB | Tag(18:2n6/20:1n7/16:0) | SMPDB | Tag(18:2w6/20:1w7/16:0) | SMPDB | Tag(54:3) | SMPDB | Triacylglycerol(18:2(9Z,12Z)/20:1(13Z)/16:0) | SMPDB | Triacylglycerol(18:2/20:1/16:0) | SMPDB | Triacylglycerol(18:2n6/20:1n7/16:0) | SMPDB | Triacylglycerol(18:2w6/20:1w7/16:0) | SMPDB | Triacylglycerol(54:3) | SMPDB | Triacylglycerol | SMPDB | Triglyceride | SMPDB | TG(18:2(9Z,12Z)/20:1(13Z)/16:0) | SMPDB | (2R)-1-(Hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (13Z)-icos-13-enoic acid | Generator |
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Chemical Formula | C57H104O6 |
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Average Molecular Weight | 885.45 |
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Monoisotopic Molecular Weight | 884.7833 |
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IUPAC Name | (2R)-1-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (13Z)-icos-13-enoate |
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Traditional Name | (2R)-1-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (13Z)-icos-13-enoate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC |
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InChI Identifier | InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,29,54H,4-16,18,21,23-25,27-28,30-53H2,1-3H3/b20-17-,22-19-,29-26-/t54-/m1/s1 |
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InChI Key | JPCDTKFWXVCVCM-ONGOXRTQSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerolipids |
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Sub Class | Triradylcglycerols |
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Direct Parent | Triacylglycerols |
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Alternative Parents | |
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Substituents | - Triacyl-sn-glycerol
- Tricarboxylic acid or derivatives
- Fatty acid ester
- Fatty acyl
- Carboxylic acid ester
- 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 | Not Available |
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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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