Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:54:38 -0600 |
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Update Date | 2015-06-03 17:20:39 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 1,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0) |
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Description | 1,2-diacyl-sn-glycerol (ditetradecanoyl, n-c14:0) belongs to the class of Diacylglycerols. These are glycerides consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages. (inferred from compound structure) |
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Structure | |
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Synonyms: | - (2S)-3-Hydroxy-1,2-propanediyl ditetradecanoate
- (2S)-3-Hydroxy-1,2-propanediyl ditetradecanoic acid
- (2S)-3-hydroxy-2-tetradecanoyloxypropyl tetradecanoate
- (2S)-3-Hydroxy-2-tetradecanoyloxypropyl tetradecanoic acid
- 1,2-dimyristoyl-rac-glycerol
- 1,2-Ditetradecanoyl-sn-glycerol
- DAG(14:0/14:0)
- DAG(28:0)
- DG(14:0/14:0)
- DG(28:0)
- Diacylglycerol
- Diacylglycerol(14:0/14:0)
- Diacylglycerol(28:0)
- Diglyceride
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Chemical Formula: | C31H60O5 |
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Weight: | Average: 512.8051 Monoisotopic: 512.44407503 |
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InChI Key: | JFBCSFJKETUREV-LJAQVGFWSA-N |
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InChI: | 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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CAS number: | Not Available |
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IUPAC Name: | (2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl tetradecanoate |
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Traditional IUPAC Name: | diacylglycerol |
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SMILES: | [H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
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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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Physical Properties |
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State: | Not Available |
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Charge: | 0 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Membrane |
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Reactions: | Water + PA(16:0/16:0) > 1,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0) + Phosphate1,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0) + Adenosine triphosphate > ADP + Hydrogen ion + PA(16:0/16:0)1,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0) + Cytidine triphosphate + Hydrogen ion > CDP-1,2-ditetradecanoylglycerol + Pyrophosphate2 1,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-1,2-ditetradecanoylglycerol + Pyrophosphate |
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SMPDB Pathways: | phospholipid biosynthesis (CL(10:0(3-OH)/17:0cycw7c/14:0/14:0)) | PW001907 | | phospholipid biosynthesis (CL(10:0/17:0cycw7c/14:0/14:0)) | PW001912 | | phospholipid biosynthesis (CL(14:0(3-OH)/17:0cycw7c/14:0/14:0)) | PW001942 | |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0pb9-6539660000-520c946560c78391b803 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000090000-02de2f1820f28e136d03 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000j-0090630000-e71d6682bec32596592c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0019-0090170000-8aa23af5db4b0446acbf | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000090000-ff38e7d81441a58488e7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000j-0090630000-4d05e0acb1eda67d4637 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0019-0090170000-4d13bc2f0e08f9d7649a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03dr-1091250000-06dc656cdb1e35394a07 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dr-4291100000-536476a16f5fed6e55e9 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0bt9-9670000000-bd0ec4ad4bd32c052881 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-1073090000-65a525eb2c3a2a98eb36 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-1090000000-9a3feb0bdec4505fbde0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-0190000000-43a00ce8043dd157c2ff | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000090000-be91b9337407bceefc54 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0000090000-be91b9337407bceefc54 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0019010000-557c8e282a1ff26f7af4 | View in MoNA |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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References |
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References: | - Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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