| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-30 18:40:11 UTC |
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| Updated at | 2020-11-18 16:36:34 UTC |
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| CannabisDB ID | CDB001633 |
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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(6Z,9Z,12Z)/18:1(11Z)) |
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| Description | 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-gamma-linolenoyl-3-vaccenoyl-glycerol | SMPDB | | TG(18:1/18:3/18:1) | SMPDB | | TG(18:1n9/18:3n6/18:1n7) | SMPDB | | TG(18:1w9/18:3w6/18:1w7) | SMPDB | | TG(54:5) | SMPDB | | Tag(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) | SMPDB | | Tag(18:1/18:3/18:1) | SMPDB | | Tag(18:1n9/18:3n6/18:1n7) | SMPDB | | Tag(18:1w9/18:3w6/18:1w7) | SMPDB | | Tag(54:5) | SMPDB | | Triacylglycerol(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) | SMPDB | | Triacylglycerol(18:1/18:3/18:1) | SMPDB | | Triacylglycerol(18:1n9/18:3n6/18:1n7) | SMPDB | | Triacylglycerol(18:1w9/18:3w6/18:1w7) | SMPDB | | Triacylglycerol(54:5) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) | SMPDB | | (2R)-1-[(11Z)-Octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid | Generator |
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| Chemical Formula | C57H100O6 |
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| Average Molecular Weight | 881.42 |
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| Monoisotopic Molecular Weight | 880.752 |
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| IUPAC Name | (2R)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
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| Traditional Name | (2R)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC |
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| InChI Identifier | InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,26-27,29-30,36,39,54H,4-17,20,23-25,28,31-35,37-38,40-53H2,1-3H3/b21-18-,22-19-,29-26-,30-27-,39-36-/t54-/m1/s1 |
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| InChI Key | VHJVYLPSJSQQCX-CWTVXOEHSA-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
- 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
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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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