Record Information |
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Version | 1.0 |
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Created at | 2020-03-30 18:38:13 UTC |
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Updated at | 2020-11-18 16:36:32 UTC |
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CannabisDB ID | CDB001605 |
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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)/18:1(9Z)/16:0) |
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Description | TG(18:1(9Z)/18:1(9Z)/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)/18:1(9Z)/16:0) is made up of one 9Z-octadecenoyl(R1), one 9Z-octadecenoyl(R2), and one hexadecanoyl(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-Hexadecanoyl-2,3-di-(9Z)-octadecenoyl-sn-glycerol | ChEBI | 1-Hexadecanoyl-2,3-di-(9Z-octadecenoyl)-sn-glycerol | ChEBI | TG(16:0/18:1(9Z)/18:1(9Z))[iso3] | ChEBI | TG(16:0/18:1/18:1)[iso3] | ChEBI | TG[16:0/18:1(omega-9)/18:1(omega-9)] | ChEBI | 1-oleoyl-2-oleoyl-3-palmitoyl-glycerol | SMPDB | TG(18:1/18:1/16:0) | SMPDB | TG(18:1n9/18:1n9/16:0) | SMPDB | TG(18:1w9/18:1w9/16:0) | SMPDB | TG(52:2) | SMPDB | Tag(18:1(9Z)/18:1(9Z)/16:0) | SMPDB | Tag(18:1/18:1/16:0) | SMPDB | Tag(18:1n9/18:1n9/16:0) | SMPDB | Tag(18:1w9/18:1w9/16:0) | SMPDB | Tag(52:2) | SMPDB | Triacylglycerol(18:1(9Z)/18:1(9Z)/16:0) | SMPDB | Triacylglycerol(18:1/18:1/16:0) | SMPDB | Triacylglycerol(18:1n9/18:1n9/16:0) | SMPDB | Triacylglycerol(18:1w9/18:1w9/16:0) | SMPDB | Triacylglycerol(52:2) | SMPDB | Triacylglycerol | SMPDB | Triglyceride | SMPDB | TG(18:1(9Z)/18:1(9Z)/16:0) | SMPDB |
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Chemical Formula | C55H102O6 |
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Average Molecular Weight | 859.39 |
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Monoisotopic Molecular Weight | 858.7676 |
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IUPAC Name | (2R)-1-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate |
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Traditional Name | (2R)-1-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate |
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CAS Registry Number | 27071-84-7 |
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SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC |
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InChI Identifier | InChI=1S/C55H102O6/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/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-/t52-/m1/s1 |
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InChI Key | JFISYPWOVQNHLS-VJYDLUETSA-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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