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Identification |
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YMDB ID | YMDB15624 |
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Name | TG(10:0/14:0/18:0) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(10:0/14:0/18:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(10:0/14:0/18:0) is made up of one decanoyl(R1), one tetradecanoyl(R2), and one octadecanoyl(R3). |
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Structure | |
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Synonyms | - 1-animal fats-2-tetradecanoyl-3-octadecanoyl-glycerol
- Tracylglycerol(42:0)
- Triacylglycerol
- 1-decanoic acid-2-myristoyl-3-stearoyl-glycerol
- Triglyceride
- TG(10:0/14:0/18:0)
- TAG(42:0)
- Tracylglycerol(10:0/14:0/18:0)
- TAG(10:0/14:0/18:0)
- TG(42:0)
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CAS number | Not Available |
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Weight | Average: 723.177 Monoisotopic: 722.642440489 |
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InChI Key | BEXKLXMFSKHXRE-WBCKFURZSA-N |
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InChI | InChI=1S/C45H86O6/c1-4-7-10-13-16-18-20-21-22-23-25-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-15-12-9-6-3)51-45(48)39-36-33-30-27-24-19-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1 |
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IUPAC Name | (2S)-3-(decanoyloxy)-2-(tetradecanoyloxy)propyl octadecanoate |
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Traditional IUPAC Name | (2S)-3-(decanoyloxy)-2-(tetradecanoyloxy)propyl octadecanoate |
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Chemical Formula | C45H86O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule 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 | Glycerolipids |
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Sub Class | Triradylcglycerols |
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Direct Parent | Triacylglycerols |
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Alternative Parents | |
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Substituents | - Triacyl-sn-glycerol
- Tricarboxylic acid or derivatives
- Fatty acid ester
- Fatty acyl
- 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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Physical Properties |
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State | Solid |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Triacylglycerol metabolism TG(10:0/14:0/18:0) | PW007610 |    |
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KEGG Pathways | Not Available |
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SMPDB Reactions | |
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KEGG Reactions | Not Available |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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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 | splash10-0006-0000000900-396577773223fda3ba4f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000000900-396577773223fda3ba4f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ukt-0000940300-86e7c9de68758534d65c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0350330900-95490fa4275ef78334f7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0pi0-0291100000-35583da9878e053bbdd4 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pir-1691100000-fa5ffbd7cfad00c3dd53 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0000000900-487bf2cf36214179ac31 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0000000900-487bf2cf36214179ac31 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-0000000900-487bf2cf36214179ac31 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000000900-c83d51e3f6cbcd42c11e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000000900-c83d51e3f6cbcd42c11e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ukt-0010940300-716af8053a008c179aea | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-1430211900-9e21d35c749a5eb01c3c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-074j-9550313300-5b3f86d6932ce0e19f3a | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0cec-4592100000-d38dfada98defd86a509 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0000000900-ef55c4ed517a7cf683c2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000000900-ef55c4ed517a7cf683c2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-14mo-0040090400-408ab699ee809e633a6c | JSpectraViewer |
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References |
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References: | - Rattray JB, Schibeci A, Kidby DK. (1975). "Lipids of yeasts." Bacteriol Rev. 1975 Sep;39(3):197-231.240350
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Synthesis Reference: | Not Available |
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External Links: | Resource | Link |
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CHEBI ID | Not Available | HMDB ID | HMDB0071732 | Pubchem Compound ID | 131778535 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | FDB043733 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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