Record Information |
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Version | 1.0 |
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Created at | 2020-03-30 19:37:52 UTC |
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Updated at | 2020-11-18 16:37:26 UTC |
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CannabisDB ID | CDB002456 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | TG(20:1(11Z)/18:2(9Z,12Z)/18:0) |
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Description | TG(20:1(11Z)/18:2(9Z,12Z)/18:0) 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(20:1(11Z)/18:2(9Z,12Z)/18:0) is made up of one 11Z-eicosenoyl(R1), one 9Z,12Z-octadecadienoyl(R2), and one octadecanoyl(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-eicosenoyl-2-linoleoyl-3-stearoyl-glycerol | SMPDB | TG(20:1/18:2/18:0) | SMPDB | TG(20:1n9/18:2n6/18:0) | SMPDB | TG(20:1w9/18:2w6/18:0) | SMPDB | TG(56:3) | SMPDB, HMDB | Tag(20:1(11Z)/18:2(9Z,12Z)/18:0) | SMPDB | Tag(20:1/18:2/18:0) | SMPDB | Tag(20:1n9/18:2n6/18:0) | SMPDB | Tag(20:1w9/18:2w6/18:0) | SMPDB | Tag(56:3) | SMPDB, HMDB | Triacylglycerol(20:1(11Z)/18:2(9Z,12Z)/18:0) | SMPDB | Triacylglycerol(20:1/18:2/18:0) | SMPDB | Triacylglycerol(20:1n9/18:2n6/18:0) | SMPDB | Triacylglycerol(20:1w9/18:2w6/18:0) | SMPDB | Triacylglycerol(56:3) | SMPDB | Triacylglycerol | SMPDB, HMDB | Triglyceride | SMPDB, HMDB | TG(20:1(11Z)/18:2(9Z,12Z)/18:0) | SMPDB | 1-Stearoyl-2-linoleoyl-3-eicosenoyl-glycerol | HMDB | TAG(18:0/18:2/20:1) | HMDB | TAG(18:0/18:2n6/20:1n9) | HMDB | TAG(18:0/18:2W6/20:1W9) | HMDB | TG(18:0/18:2/20:1) | HMDB | TG(18:0/18:2n6/20:1n9) | HMDB | TG(18:0/18:2W6/20:1W9) | HMDB | Tracylglycerol(18:0/18:2/20:1) | HMDB | Tracylglycerol(18:0/18:2n6/20:1n9) | HMDB | Tracylglycerol(18:0/18:2W6/20:1W9) | HMDB | Tracylglycerol(56:3) | HMDB |
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Chemical Formula | C59H108O6 |
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Average Molecular Weight | 913.49 |
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Monoisotopic Molecular Weight | 912.8146 |
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IUPAC Name | (2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl (11Z)-icos-11-enoate |
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Traditional Name | (2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl (11Z)-icos-11-enoate |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31,56H,4-17,19-20,22-24,26,29-30,32-55H2,1-3H3/b21-18-,28-25-,31-27-/t56-/m1/s1 |
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InChI Key | MITMUAAWQVPOIU-PBOPFXQASA-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 | |
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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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