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Identification |
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YMDB ID | YMDB01272 |
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Name | TG(14:0/16:0/16:1(9Z)) |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | TG(14:0/16:0/16:1(9Z)) 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(14:0/16:0/16:1(9Z)) is made up of one tetradecanoyl(R1), one hexadecanoyl(R2), and one 9Z-hexadecenoyl(R3). |
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Structure | |
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Synonyms | - 1-myristoyl-2-palmitoyl-3-palmitoleoyl-glycerol
- TAG(14:0/16:0/16:1)
- TAG(14:0/16:0/16:1n7)
- TAG(14:0/16:0/16:1w7)
- TAG(46:1)
- TG(14:0/16:0/16:1)
- TG(14:0/16:0/16:1n7)
- TG(14:0/16:0/16:1w7)
- TG(46:1)
- Tracylglycerol(14:0/16:0/16:1)
- Tracylglycerol(14:0/16:0/16:1n7)
- Tracylglycerol(14:0/16:0/16:1w7)
- Tracylglycerol(46:1)
- Triacylglycerol
- Triglyceride
- 1-Tetradecanoyl-2-hexadecanoyl-3-(9Z-hexadecenoyl)-glycerol
- TG(14:0/16:0/16:1(9Z))
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CAS number | Not Available |
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Weight | Average: 777.269 Monoisotopic: 776.689390682 |
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InChI Key | JYICXCHHKWVGEI-FIZKWYBOSA-N |
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InChI | InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-/t46-/m0/s1 |
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IUPAC Name | (2S)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl (9Z)-hexadec-9-enoate |
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Traditional IUPAC Name | (2S)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl (9Z)-hexadec-9-enoate |
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Chemical Formula | C49H92O6 |
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SMILES | [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC |
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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(14:0/16:0/16:1(9Z)) | PW007725 |    |
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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 | Intracellular Concentration | Substrate | Growth Conditions | Strain | Citation |
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107500 ± 5600 umol/L | SD media with 2% raffinose | 24 oC | BY4741 | PMID: 19174513 | 4250 ± 175 umol/L | SD media with 2% raffinose | 37 oC | BY4741 | PMID: 19174513 | Conversion Details Here |
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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 | splash10-0006-0000000900-227ddb710093413cd30c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000000900-227ddb710093413cd30c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dj-0000090200-163ff727567e80f1dda4 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0kdr-0090020100-c655c1c5ffbfd9c06f2d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zi9-0090010000-ebf5d701c8f770c1b13f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pdi-1090000000-390bc3a887664228035b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000000900-50e419bdce269d8cd8c3 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000000900-50e419bdce269d8cd8c3 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dj-0010090200-a2511c5ba5360c1c2c12 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090070700-8cc6d433e9b886a6e269 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0090010000-37c358fb928d64721de0 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0zir-0090010000-223e528e7f21b815e618 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000000900-00b2070bcda6abdd51d9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0000000900-00b2070bcda6abdd51d9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0xx0-0040090400-aefc0c745cffa91cc46b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-3210041900-60cca807d493ee64a8e1 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-059l-9140125500-0d05aa2bce37c1143df6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-007a-4291012000-2b1c2daa81b6f0f09ead | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0000000900-f23bade45137120ab466 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0000000900-f23bade45137120ab466 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-0000000900-f23bade45137120ab466 | JSpectraViewer |
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References |
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References: | - Ejsing, C. S., Sampaio, J. L., Surendranath, V., Duchoslav, E., Ekroos, K., Klemm, R. W., Simons, K., Shevchenko, A. (2009). "Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry." Proc Natl Acad Sci U S A 106:2136-2141.19174513
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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 | HMDB0042129 | Pubchem Compound ID | 131753273 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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