| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-07-30 18:57:11 UTC |
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| Update Date | 2016-08-02 20:15:39 UTC |
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| Lmdb | LMDB00819 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | 1,2-Dipalmitoylglycerol |
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| Description | 1,2-Dipalmitoylglycerol, also known as 1,2-dihexadecanoylglycerol or DG(16:0/16:0/0:0), belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Thus, 1,2-dipalmitoylglycerol is considered to be a diradylglycerol lipid molecule. 1,2-Dipalmitoylglycerol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1,2-Dihexadecanoylglycerol | ChEBI | | DG(16:0/16:0/0:0) | ChEBI | | Glyceryl 1,2-dihexadecanoate | ChEBI | | Glyceryl 1,2-dipalmitate | ChEBI | | Glyceryl 1,2-dihexadecanoic acid | Generator | | Glyceryl 1,2-dipalmitic acid | Generator |
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| Chemical Formula | C35H68O5 |
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| Average Molecular Weight | 568.9114 |
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| Monoisotopic Molecular Weight | 568.506675286 |
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| IUPAC Name | 1-(hexadecanoyloxy)-3-hydroxypropan-2-yl hexadecanoate |
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| Traditional Name | 1,2-dipalmitoyl-rac-glycerol |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3 |
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| InChI Key | JEJLGIQLPYYGEE-UHFFFAOYSA-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 | |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| 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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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-02ti-2079180000-9f1275abb2d1f86b8ae9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03ds-4296320000-a2c4a4e8d0d6e5a42eb3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-4964610000-45dfe31599ae4f58c3c3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0cdr-0094030000-477ea9298999b351fd41 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4r-1092000000-6e95ecf681e1a358e58b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-2090000000-fd1bc43750683824827d | Spectrum |
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