| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-03-30 19:12:31 UTC |
|---|
| Updated at | 2020-11-18 16:37:01 UTC |
|---|
| CannabisDB ID | CDB002098 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | TG(18:3(6Z,9Z,12Z)/20:1(13Z)/18:3(9Z,12Z,15Z)) |
|---|
| Description | This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 1-gamma-linolenoyl-2-paullinoyl-3-alpha-linolenoyl-glycerol | SMPDB | | TG(18:3/20:1/18:3) | SMPDB | | TG(18:3n6/20:1n7/18:3n3) | SMPDB | | TG(18:3w6/20:1w7/18:3w3) | SMPDB | | TG(56:7) | SMPDB | | Tag(18:3(6Z,9Z,12Z)/20:1(13Z)/18:3(9Z,12Z,15Z)) | SMPDB | | Tag(18:3/20:1/18:3) | SMPDB | | Tag(18:3n6/20:1n7/18:3n3) | SMPDB | | Tag(18:3w6/20:1w7/18:3w3) | SMPDB | | Tag(56:7) | SMPDB | | Triacylglycerol(18:3(6Z,9Z,12Z)/20:1(13Z)/18:3(9Z,12Z,15Z)) | SMPDB | | Triacylglycerol(18:3/20:1/18:3) | SMPDB | | Triacylglycerol(18:3n6/20:1n7/18:3n3) | SMPDB | | Triacylglycerol(18:3w6/20:1w7/18:3w3) | SMPDB | | Triacylglycerol(56:7) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(18:3(6Z,9Z,12Z)/20:1(13Z)/18:3(9Z,12Z,15Z)) | SMPDB | | (2R)-1-[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-icos-13-enoic acid | Generator |
|
|---|
| Chemical Formula | C59H100O6 |
|---|
| Average Molecular Weight | 905.44 |
|---|
| Monoisotopic Molecular Weight | 904.752 |
|---|
| IUPAC Name | (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-icos-13-enoate |
|---|
| Traditional Name | (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-icos-13-enoate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC |
|---|
| InChI Identifier | InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-22,26-27,30-31,37,40,56H,4-7,9-10,12-16,23-25,28-29,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,21-18-,22-19-,30-26-,31-27-,40-37-/t56-/m1/s1 |
|---|
| InChI Key | MLBGLYOLESHWPQ-HFVYZJDESA-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 | [] |
|---|
