| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-03-30 18:39:50 UTC |
|---|
| Updated at | 2020-11-18 16:36:33 UTC |
|---|
| CannabisDB ID | CDB001628 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | TG(18:1(9Z)/18:2(9Z,12Z)/22:0) |
|---|
| Description | TG(18:1(9Z)/18:2(9Z,12Z)/22:0) 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(18:1(9Z)/18:2(9Z,12Z)/22:0) is made up of one 9Z-octadecenoyl(R1), one 9Z,12Z-octadecadienoyl(R2), and one docosanoyl(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-oleoyl-2-linoleoyl-3-behenoyl-glycerol | SMPDB | | TG(18:1/18:2/22:0) | SMPDB | | TG(18:1n9/18:2n6/22:0) | SMPDB | | TG(18:1w9/18:2w6/22:0) | SMPDB | | TG(58:3) | SMPDB | | Tag(18:1(9Z)/18:2(9Z,12Z)/22:0) | SMPDB | | Tag(18:1/18:2/22:0) | SMPDB | | Tag(18:1n9/18:2n6/22:0) | SMPDB | | Tag(18:1w9/18:2w6/22:0) | SMPDB | | Tag(58:3) | SMPDB | | Triacylglycerol(18:1(9Z)/18:2(9Z,12Z)/22:0) | SMPDB | | Triacylglycerol(18:1/18:2/22:0) | SMPDB | | Triacylglycerol(18:1n9/18:2n6/22:0) | SMPDB | | Triacylglycerol(18:1w9/18:2w6/22:0) | SMPDB | | Triacylglycerol(58:3) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(18:1(9Z)/18:2(9Z,12Z)/22:0) | SMPDB | | (2R)-3-[(9Z)-Octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl docosanoic acid | Generator |
|
|---|
| Chemical Formula | C61H112O6 |
|---|
| Average Molecular Weight | 941.56 |
|---|
| Monoisotopic Molecular Weight | 940.8459 |
|---|
| IUPAC Name | (2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl docosanoate |
|---|
| Traditional Name | (2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl docosanoate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
|---|
| InChI Identifier | InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,26-27,32-33,58H,4-17,19-20,22-25,28-31,34-57H2,1-3H3/b21-18-,32-26-,33-27-/t58-/m0/s1 |
|---|
| InChI Key | POBQACNRSDFLSN-SDHBQJQBSA-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 | [] |
|---|
