Record Information |
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Version | 1.0 |
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Created at | 2020-03-30 20:10:49 UTC |
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Updated at | 2020-11-18 16:37:58 UTC |
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CannabisDB ID | CDB002935 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | TG(22:1(13Z)/20:1(11Z)/18:0) |
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Description | TG(22:1(13Z)/20:1(11Z)/18:0) 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(22:1(13Z)/20:1(11Z)/18:0) is made up of one 13Z-docosenoyl(R1), one 11Z-eicosenoyl(R2), and one octadecanoyl(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-erucoyl-2-eicosenoyl-3-stearoyl-glycerol | SMPDB | TG(22:1/20:1/18:0) | SMPDB | TG(22:1n9/20:1n9/18:0) | SMPDB | TG(22:1w9/20:1w9/18:0) | SMPDB | TG(60:2) | SMPDB | Tag(22:1(13Z)/20:1(11Z)/18:0) | SMPDB | Tag(22:1/20:1/18:0) | SMPDB | Tag(22:1n9/20:1n9/18:0) | SMPDB | Tag(22:1w9/20:1w9/18:0) | SMPDB | Tag(60:2) | SMPDB | Triacylglycerol(22:1(13Z)/20:1(11Z)/18:0) | SMPDB | Triacylglycerol(22:1/20:1/18:0) | SMPDB | Triacylglycerol(22:1n9/20:1n9/18:0) | SMPDB | Triacylglycerol(22:1w9/20:1w9/18:0) | SMPDB | Triacylglycerol(60:2) | SMPDB | Triacylglycerol | SMPDB | Triglyceride | SMPDB | TG(22:1(13Z)/20:1(11Z)/18:0) | SMPDB |
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Chemical Formula | C63H118O6 |
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Average Molecular Weight | 971.63 |
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Monoisotopic Molecular Weight | 970.8928 |
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IUPAC Name | (2R)-2-[(11Z)-icos-11-enoyloxy]-3-(octadecanoyloxy)propyl (13Z)-docos-13-enoate |
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Traditional Name | (2R)-2-[(11Z)-icos-11-enoyloxy]-3-(octadecanoyloxy)propyl (13Z)-docos-13-enoate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC |
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InChI Identifier | InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-/t60-/m1/s1 |
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InChI Key | OYNGPKGJSNVQOS-YMMKQRMDSA-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 | |
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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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