| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-30 18:41:30 UTC |
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| Updated at | 2020-11-18 16:36:35 UTC |
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| CannabisDB ID | CDB001652 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:0) |
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| Description | TG(18:1(9Z)/18:3(9Z,12Z,15Z)/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)/18:3(9Z,12Z,15Z)/22:0) is made up of one 9Z-octadecenoyl(R1), one 9Z,12Z,15Z-octadecatrienoyl(R2), and one docosanoyl(R3). This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-oleoyl-2-alpha-linolenoyl-3-behenoyl-glycerol | SMPDB | | TG(18:1/18:3/22:0) | SMPDB | | TG(18:1n9/18:3n3/22:0) | SMPDB | | TG(18:1w9/18:3w3/22:0) | SMPDB | | TG(58:4) | SMPDB | | Tag(18:1(9Z)/18:3(9Z,12Z,15Z)/22:0) | SMPDB | | Tag(18:1/18:3/22:0) | SMPDB | | Tag(18:1n9/18:3n3/22:0) | SMPDB | | Tag(18:1w9/18:3w3/22:0) | SMPDB | | Tag(58:4) | SMPDB | | Triacylglycerol(18:1(9Z)/18:3(9Z,12Z,15Z)/22:0) | SMPDB | | Triacylglycerol(18:1/18:3/22:0) | SMPDB | | Triacylglycerol(18:1n9/18:3n3/22:0) | SMPDB | | Triacylglycerol(18:1w9/18:3w3/22:0) | SMPDB | | Triacylglycerol(58:4) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:0) | SMPDB | | (2R)-3-[(9Z)-Octadec-9-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl docosanoic acid | Generator |
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| Chemical Formula | C61H110O6 |
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| Average Molecular Weight | 939.55 |
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| Monoisotopic Molecular Weight | 938.8302 |
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| IUPAC Name | (2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl docosanoate |
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| Traditional Name | (2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl docosanoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |
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| InChI Identifier | InChI=1S/C61H110O6/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/h9,12,18,21,26-27,32-33,58H,4-8,10-11,13-17,19-20,22-25,28-31,34-57H2,1-3H3/b12-9-,21-18-,32-26-,33-27-/t58-/m0/s1 |
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| InChI Key | WSEOLICCQLXYAB-AZHWNQLUSA-N |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Glycerolipids |
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| Sub Class | Triradylcglycerols |
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| Direct Parent | Triacylglycerols |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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