| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-03-30 18:40:48 UTC |
|---|
| Updated at | 2020-11-18 16:36:34 UTC |
|---|
| CannabisDB ID | CDB001642 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | TG(18:1(9Z)/18:3(9Z,12Z,15Z)/16:0) |
|---|
| Description | TG(18:1(9Z)/18:3(9Z,12Z,15Z)/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(18:1(9Z)/18:3(9Z,12Z,15Z)/16:0) is made up of one 9Z-octadecenoyl(R1), one 9Z,12Z,15Z-octadecatrienoyl(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-oleoyl-2-alpha-linolenoyl-3-palmitoyl-glycerol | SMPDB | | TG(18:1/18:3/16:0) | SMPDB | | TG(18:1n9/18:3n3/16:0) | SMPDB | | TG(18:1w9/18:3w3/16:0) | SMPDB | | TG(52:4) | SMPDB | | Tag(18:1(9Z)/18:3(9Z,12Z,15Z)/16:0) | SMPDB | | Tag(18:1/18:3/16:0) | SMPDB | | Tag(18:1n9/18:3n3/16:0) | SMPDB | | Tag(18:1w9/18:3w3/16:0) | SMPDB | | Tag(52:4) | SMPDB | | Triacylglycerol(18:1(9Z)/18:3(9Z,12Z,15Z)/16:0) | SMPDB | | Triacylglycerol(18:1/18:3/16:0) | SMPDB | | Triacylglycerol(18:1n9/18:3n3/16:0) | SMPDB | | Triacylglycerol(18:1w9/18:3w3/16:0) | SMPDB | | Triacylglycerol(52:4) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(18:1(9Z)/18:3(9Z,12Z,15Z)/16:0) | SMPDB |
|
|---|
| Chemical Formula | C55H98O6 |
|---|
| Average Molecular Weight | 855.38 |
|---|
| Monoisotopic Molecular Weight | 854.7363 |
|---|
| IUPAC Name | (2R)-1-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
|---|
| Traditional Name | (2R)-1-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |
|---|
| InChI Identifier | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,52H,4-7,9-10,12-16,18-19,21-24,29-51H2,1-3H3/b11-8-,20-17-,27-25-,28-26-/t52-/m1/s1 |
|---|
| InChI Key | WEWGDECMSJEOGE-ZIRLAHJASA-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
- Octadecanoid
- 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 | [] |
|---|
