Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-10-01 18:07:41 UTC |
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Update Date | 2022-09-22 18:34:38 UTC |
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HMDB ID | HMDB0304951 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Glycerol 1-myristate |
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Description | 1-monomyristoylglycerol, also known as 1-tetradecanoylglycerol or monomyristin, belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. 1-monomyristoylglycerol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CCCCCCCCCCCCCC(=O)OCC(O)CO InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3 |
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Synonyms | Value | Source |
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1-Myristoyl glycerol | ChEBI | 1-Tetradecanoylglycerol | ChEBI | Monomyristin | ChEBI | 1-Monomyristin | MeSH | 1-Monomyristin, (+-)-isomer | MeSH |
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Chemical Formula | C17H34O4 |
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Average Molecular Weight | 302.455 |
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Monoisotopic Molecular Weight | 302.245709575 |
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IUPAC Name | 2,3-dihydroxypropyl tetradecanoate |
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Traditional Name | 2,3-dihydroxypropyl tetradecanoate |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCCCCCC(=O)OCC(O)CO |
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InChI Identifier | InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3 |
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InChI Key | DCBSHORRWZKAKO-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. |
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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 | Monoradylglycerols |
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Direct Parent | 1-monoacylglycerols |
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Alternative Parents | |
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Substituents | - 1-acyl-sn-glycerol
- Fatty acid ester
- Fatty acyl
- 1,2-diol
- Carboxylic acid ester
- Secondary alcohol
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Primary alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organic oxide
- Organooxygen compound
- 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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Physiological effect | Not Available |
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Disposition | Not Available |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Glycerol 1-myristate,1TMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C | 2342.5 | Semi standard non polar | 33892256 | Glycerol 1-myristate,1TMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C | 2307.9 | Standard non polar | 33892256 | Glycerol 1-myristate,1TMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C | 2764.5 | Standard polar | 33892256 | Glycerol 1-myristate,1TMS,isomer #2 | CCCCCCCCCCCCCC(=O)OCC(O)CO[Si](C)(C)C | 2383.9 | Semi standard non polar | 33892256 | Glycerol 1-myristate,1TMS,isomer #2 | CCCCCCCCCCCCCC(=O)OCC(O)CO[Si](C)(C)C | 2339.1 | Standard non polar | 33892256 | Glycerol 1-myristate,1TMS,isomer #2 | CCCCCCCCCCCCCC(=O)OCC(O)CO[Si](C)(C)C | 2729.0 | Standard polar | 33892256 | Glycerol 1-myristate,2TMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C | 2415.3 | Semi standard non polar | 33892256 | Glycerol 1-myristate,2TMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C | 2409.2 | Standard non polar | 33892256 | Glycerol 1-myristate,2TMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C | 2482.5 | Standard polar | 33892256 | Glycerol 1-myristate,1TBDMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C(C)(C)C | 2611.2 | Semi standard non polar | 33892256 | Glycerol 1-myristate,1TBDMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C(C)(C)C | 2478.0 | Standard non polar | 33892256 | Glycerol 1-myristate,1TBDMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C(C)(C)C | 2847.0 | Standard polar | 33892256 | Glycerol 1-myristate,1TBDMS,isomer #2 | CCCCCCCCCCCCCC(=O)OCC(O)CO[Si](C)(C)C(C)(C)C | 2629.4 | Semi standard non polar | 33892256 | Glycerol 1-myristate,1TBDMS,isomer #2 | CCCCCCCCCCCCCC(=O)OCC(O)CO[Si](C)(C)C(C)(C)C | 2508.5 | Standard non polar | 33892256 | Glycerol 1-myristate,1TBDMS,isomer #2 | CCCCCCCCCCCCCC(=O)OCC(O)CO[Si](C)(C)C(C)(C)C | 2827.3 | Standard polar | 33892256 | Glycerol 1-myristate,2TBDMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2886.7 | Semi standard non polar | 33892256 | Glycerol 1-myristate,2TBDMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2721.1 | Standard non polar | 33892256 | Glycerol 1-myristate,2TBDMS,isomer #1 | CCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2745.4 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 1-myristate GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2022-08-08 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 10V, Positive-QTOF | splash10-0ufr-8297000000-93d38c183ecb481c60d9 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 20V, Positive-QTOF | splash10-004i-9330000000-7261a54982406e25fe13 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 40V, Positive-QTOF | splash10-0ar3-9500000000-cc73a6a14a1467ab4e91 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 10V, Negative-QTOF | splash10-0pdi-2093000000-508e13631a12aa346daa | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 20V, Negative-QTOF | splash10-056r-4190000000-095b27e5f80235d4d1f0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 40V, Negative-QTOF | splash10-0a4i-9350000000-f28742c84244f2c8bb4d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 10V, Positive-QTOF | splash10-0a4i-0009000000-01b38b16a8e019952d7b | 2021-10-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 20V, Positive-QTOF | splash10-0a4i-0009000000-01b38b16a8e019952d7b | 2021-10-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 40V, Positive-QTOF | splash10-052b-9005000000-f51a180507ed19254e6c | 2021-10-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 10V, Positive-QTOF | splash10-00di-0009000000-dc7d52e79bdd38ca3703 | 2021-10-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 20V, Positive-QTOF | splash10-00di-0009000000-dc7d52e79bdd38ca3703 | 2021-10-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 1-myristate 40V, Positive-QTOF | splash10-0in0-0092000000-8a6a97c969ddf32f309a | 2021-10-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | 2022-08-23 | Wishart Lab | View Spectrum |
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