| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-30 20:33:20 UTC |
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| Updated at | 2020-11-18 16:38:15 UTC |
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| CannabisDB ID | CDB003271 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | PA(20:1(13Z)/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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| [(2R)-2-(Docosanoyloxy)-3-[(13Z)-icos-13-enoyloxy]propoxy]phosphonate | Generator |
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| Chemical Formula | C45H87O8P |
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| Average Molecular Weight | 787.16 |
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| Monoisotopic Molecular Weight | 786.6139 |
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| IUPAC Name | [(2R)-2-(docosanoyloxy)-3-[(13Z)-icos-13-enoyloxy]propoxy]phosphonic acid |
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| Traditional Name | (2R)-2-(docosanoyloxy)-3-[(13Z)-icos-13-enoyloxy]propoxyphosphonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C45H87O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42H2,1-2H3,(H2,48,49,50)/b16-14-/t43-/m1/s1 |
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| InChI Key | OFMINMDLKSFPNE-LKEIBTGGSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains 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 | Glycerophospholipids |
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| Sub Class | Glycerophosphates |
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| Direct Parent | 1,2-diacylglycerol-3-phosphates |
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| Alternative Parents | |
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| Substituents | - 1,2-diacylglycerol-3-phosphate
- Monoalkyl phosphate
- Fatty acid ester
- Fatty acyl
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Dicarboxylic acid or derivatives
- 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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