| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-03-30 19:36:56 UTC |
|---|
| Updated at | 2020-11-18 16:37:25 UTC |
|---|
| CannabisDB ID | CDB002443 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | TG(20:1(11Z)/18:1(11Z)/16:0) |
|---|
| Description | TG(20:1(11Z)/18:1(11Z)/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(20:1(11Z)/18:1(11Z)/16:0) is made up of one 11Z-eicosenoyl(R1), one 11Z-octadecenoyl(R2), and one hexadecanoyl(R3). This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 1-eicosenoyl-2-vaccenoyl-3-palmitoyl-glycerol | SMPDB | | TG(20:1/18:1/16:0) | SMPDB | | TG(20:1n9/18:1n7/16:0) | SMPDB | | TG(20:1w9/18:1w7/16:0) | SMPDB | | TG(54:2) | SMPDB | | Tag(20:1(11Z)/18:1(11Z)/16:0) | SMPDB | | Tag(20:1/18:1/16:0) | SMPDB | | Tag(20:1n9/18:1n7/16:0) | SMPDB | | Tag(20:1w9/18:1w7/16:0) | SMPDB | | Tag(54:2) | SMPDB | | Triacylglycerol(20:1(11Z)/18:1(11Z)/16:0) | SMPDB | | Triacylglycerol(20:1/18:1/16:0) | SMPDB | | Triacylglycerol(20:1n9/18:1n7/16:0) | SMPDB | | Triacylglycerol(20:1w9/18:1w7/16:0) | SMPDB | | Triacylglycerol(54:2) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(20:1(11Z)/18:1(11Z)/16:0) | SMPDB | | (2R)-3-(Hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propyl (11Z)-icos-11-enoic acid | Generator |
|
|---|
| Chemical Formula | C57H106O6 |
|---|
| Average Molecular Weight | 887.47 |
|---|
| Monoisotopic Molecular Weight | 886.7989 |
|---|
| IUPAC Name | (2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propyl (11Z)-icos-11-enoate |
|---|
| Traditional Name | (2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propyl (11Z)-icos-11-enoate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC |
|---|
| InChI Identifier | InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,54H,4-19,21-22,24,26,28-53H2,1-3H3/b23-20-,27-25-/t54-/m1/s1 |
|---|
| InChI Key | FVKDUIOZGUGCON-LPRGUTPQSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Glycerolipids |
|---|
| Sub Class | Triradylcglycerols |
|---|
| Direct Parent | Triacylglycerols |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
|
Not Available | | Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
