Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 07:25:16 UTC |
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Update Date | 2016-11-09 01:21:29 UTC |
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Accession Number | CHEM036358 |
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Identification |
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Common Name | DG(14:0/14:0/0:0) |
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Class | Small Molecule |
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Description | A 1,2-diacyl-sn-glycerol in which both acyl groups are tetradecanoyl (myristoyl). |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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(S)-1,2-Dimyristin | ChEBI | (S)-Glycerol 1,2-dimyristate | ChEBI | 1,2-Di-O-dimyristoyl-sn-glycerol | ChEBI | 1,2-Dimyristoyl-sn-glycerol | ChEBI | 14:0 DG | ChEBI | sn-1,2-Dimyristin | ChEBI | sn-1,2-Dimyristoylglycerol | ChEBI | 1,2-Ditetradecanoyl-sn-glycerol | Kegg | (S)-Glycerol 1,2-dimyristic acid | Generator | 1,2-Dimyristoylglycerol | MeSH | Dimyristoyl diglyceride | MeSH | DG(14:0/14:0) | Lipid Annotator, HMDB | Diacylglycerol(28:0) | Lipid Annotator, HMDB | Diacylglycerol(14:0/14:0) | Lipid Annotator, HMDB | Diglyceride | Lipid Annotator, HMDB | 1,2-dimyristoyl-rac-glycerol | Lipid Annotator, HMDB | DAG(28:0) | Lipid Annotator, HMDB | Diacylglycerol | Lipid Annotator, HMDB | DG(28:0) | Lipid Annotator, HMDB | DG(14:0/14:0/0:0) | Lipid Annotator, ChEBI | 1,2-ditetradecanoyl-rac-glycerol | Lipid Annotator, HMDB | DAG(14:0/14:0) | Lipid Annotator, HMDB |
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Chemical Formula | C31H60O5 |
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Average Molecular Mass | 512.805 g/mol |
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Monoisotopic Mass | 512.444 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | (2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl tetradecanoate |
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Traditional Name | diacylglycerol |
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SMILES | [H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
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InChI Identifier | InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1 |
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InChI Key | JFBCSFJKETUREV-LJAQVGFWSA-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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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | 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 GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0pb9-6539660000-520c946560c78391b803 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000090000-02de2f1820f28e136d03 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000j-0090630000-e71d6682bec32596592c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0019-0090170000-8aa23af5db4b0446acbf | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000090000-ff38e7d81441a58488e7 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000j-0090630000-4d05e0acb1eda67d4637 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0019-0090170000-4d13bc2f0e08f9d7649a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03dr-1091250000-06dc656cdb1e35394a07 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dr-4291100000-536476a16f5fed6e55e9 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0bt9-9670000000-bd0ec4ad4bd32c052881 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-1073090000-65a525eb2c3a2a98eb36 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-1090000000-9a3feb0bdec4505fbde0 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-0190000000-43a00ce8043dd157c2ff | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000090000-be91b9337407bceefc54 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0000090000-be91b9337407bceefc54 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0019010000-557c8e282a1ff26f7af4 | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0007008 |
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FooDB ID | FDB024202 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | 8544614 |
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ChEBI ID | 80651 |
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PubChem Compound ID | 10369168 |
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Kegg Compound ID | C16667 |
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YMDB ID | Not Available |
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ECMDB ID | ECMDB21109 |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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