| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-30 17:53:22 UTC |
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| Updated at | 2020-11-18 16:35:36 UTC |
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| CannabisDB ID | CDB000946 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | DG(20:0/18:3(6Z,9Z,12Z)/0:0) |
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| Description | DG(20:0/18:3(6Z,9Z,12Z)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:0/18:3(6Z,9Z,12Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. 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 | Not Available |
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| Chemical Formula | C41H74O5 |
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| Average Molecular Weight | 647.02 |
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| Monoisotopic Molecular Weight | 646.5536 |
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| IUPAC Name | (2S)-3-hydroxy-2-(octadeca-6,9,12-trienoyloxy)propyl icosanoate |
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| Traditional Name | (2S)-3-hydroxy-2-(octadeca-6,9,12-trienoyloxy)propyl icosanoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC=CCC=CCC=CCCCCC |
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| InChI Identifier | InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,26,28,39,42H,3-11,13,15-17,19-20,22-25,27,29-38H2,1-2H3/t39-/m0/s1 |
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| InChI Key | PKDQCJOMOPLGHH-KDXMTYKHSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. |
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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 | Diradylglycerols |
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| Direct Parent | 1,2-diacylglycerols |
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| Alternative Parents | |
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| Substituents | - 1,2-acyl-sn-glycerol
- Fatty acid ester
- Fatty acyl
- Dicarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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