Record Information |
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Version | 1.0 |
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Created at | 2020-03-30 18:26:07 UTC |
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Updated at | 2020-11-18 16:36:13 UTC |
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CannabisDB ID | CDB001429 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | TG(16:0/20:1(13Z)/18:3(9Z,12Z,15Z)) |
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Description | TG(16:0/20:1(13Z)/18:3(9Z,12Z,15Z)) is an extremely weak basic (essentially neutral) compound (based on its pKa). 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-palmitoyl-2-paullinoyl-3-alpha-linolenoyl-glycerol | SMPDB | TG(16:0/20:1/18:3) | SMPDB | TG(16:0/20:1n7/18:3n3) | SMPDB | TG(16:0/20:1w7/18:3w3) | SMPDB | TG(54:4) | SMPDB | Tag(16:0/20:1(13Z)/18:3(9Z,12Z,15Z)) | SMPDB | Tag(16:0/20:1/18:3) | SMPDB | Tag(16:0/20:1n7/18:3n3) | SMPDB | Tag(16:0/20:1w7/18:3w3) | SMPDB | Tag(54:4) | SMPDB | Triacylglycerol(16:0/20:1(13Z)/18:3(9Z,12Z,15Z)) | SMPDB | Triacylglycerol(16:0/20:1/18:3) | SMPDB | Triacylglycerol(16:0/20:1n7/18:3n3) | SMPDB | Triacylglycerol(16:0/20:1w7/18:3w3) | SMPDB | Triacylglycerol(54:4) | SMPDB | Triacylglycerol | SMPDB | Triglyceride | SMPDB | TG(16:0/20:1(13Z)/18:3(9Z,12Z,15Z)) | SMPDB | (2S)-1-(Hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-icos-13-enoic acid | Generator |
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Chemical Formula | C57H102O6 |
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Average Molecular Weight | 883.44 |
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Monoisotopic Molecular Weight | 882.7676 |
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IUPAC Name | (2S)-1-(hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-icos-13-enoate |
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Traditional Name | (2S)-1-(hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-icos-13-enoate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC |
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InChI Identifier | InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,29,54H,4-7,9-10,12-16,18,21,23-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,22-19-,29-26-/t54-/m0/s1 |
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InChI Key | QOWZTWNZHRXSTM-KNANCLEUSA-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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