Record Information |
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Version | 1.0 |
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Created at | 2020-03-30 19:19:16 UTC |
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Updated at | 2020-11-18 16:37:03 UTC |
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CannabisDB ID | CDB002193 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:0) |
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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-alpha-linolenoyl-2-gamma-linolenoyl-3-behenoyl-glycerol | SMPDB | TG(18:3/18:3/22:0) | SMPDB | TG(18:3n3/18:3n6/22:0) | SMPDB | TG(18:3w3/18:3w6/22:0) | SMPDB | TG(58:6) | SMPDB | Tag(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:0) | SMPDB | Tag(18:3/18:3/22:0) | SMPDB | Tag(18:3n3/18:3n6/22:0) | SMPDB | Tag(18:3w3/18:3w6/22:0) | SMPDB | Tag(58:6) | SMPDB | Triacylglycerol(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:0) | SMPDB | Triacylglycerol(18:3/18:3/22:0) | SMPDB | Triacylglycerol(18:3n3/18:3n6/22:0) | SMPDB | Triacylglycerol(18:3w3/18:3w6/22:0) | SMPDB | Triacylglycerol(58:6) | SMPDB | Triacylglycerol | SMPDB | Triglyceride | SMPDB | TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:0) | SMPDB | (2R)-2-[(6Z,9Z)-Octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl docosanoic acid | Generator |
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Chemical Formula | C61H106O6 |
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Average Molecular Weight | 935.51 |
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Monoisotopic Molecular Weight | 934.7989 |
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IUPAC Name | (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl docosanoate |
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Traditional Name | (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(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/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C61H106O6/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/h8,11,17-18,20-21,26-27,32-33,40,43,58H,4-7,9-10,12-16,19,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,43-40-/t58-/m0/s1 |
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InChI Key | JFRKUAQPBUINTH-BLHBJNOASA-N |
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Chemical Taxonomy |
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Classification | Not classified |
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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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