| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-03-30 19:48:49 UTC |
|---|
| Updated at | 2020-11-18 16:37:36 UTC |
|---|
| CannabisDB ID | CDB002607 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | TG(20:1(13Z)/18:2(9Z,12Z)/18:1(11Z)) |
|---|
| Description | TG(20:1(13Z)/18:2(9Z,12Z)/18:1(11Z)) 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(13Z)/18:2(9Z,12Z)/18:1(11Z)) is made up of one 13Z-eicosenoyl(R1), one 9Z,12Z-octadecadienoyl(R2), and one 11Z-octadecenoyl(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-paullinoyl-2-linoleoyl-3-vaccenoyl-glycerol | SMPDB | | TG(20:1/18:2/18:1) | SMPDB | | TG(20:1n7/18:2n6/18:1n7) | SMPDB | | TG(20:1w7/18:2w6/18:1w7) | SMPDB | | TG(56:4) | SMPDB | | Tag(20:1(13Z)/18:2(9Z,12Z)/18:1(11Z)) | SMPDB | | Tag(20:1/18:2/18:1) | SMPDB | | Tag(20:1n7/18:2n6/18:1n7) | SMPDB | | Tag(20:1w7/18:2w6/18:1w7) | SMPDB | | Tag(56:4) | SMPDB | | Triacylglycerol(20:1(13Z)/18:2(9Z,12Z)/18:1(11Z)) | SMPDB | | Triacylglycerol(20:1/18:2/18:1) | SMPDB | | Triacylglycerol(20:1n7/18:2n6/18:1n7) | SMPDB | | Triacylglycerol(20:1w7/18:2w6/18:1w7) | SMPDB | | Triacylglycerol(56:4) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(20:1(13Z)/18:2(9Z,12Z)/18:1(11Z)) | SMPDB | | (2S)-3-[(11Z)-Octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-icos-13-enoic acid | Generator |
|
|---|
| Chemical Formula | C59H106O6 |
|---|
| Average Molecular Weight | 911.49 |
|---|
| Monoisotopic Molecular Weight | 910.7989 |
|---|
| IUPAC Name | (2S)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-icos-13-enoate |
|---|
| Traditional Name | (2S)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-icos-13-enoate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
|---|
| InChI Identifier | InChI=1S/C59H106O6/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/h18-23,27,31,56H,4-17,24-26,28-30,32-55H2,1-3H3/b21-18-,22-19-,23-20-,31-27-/t56-/m1/s1 |
|---|
| InChI Key | ZTGJVBRONIVIDW-ALJAHDQKSA-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 | [] |
|---|
