| Identification |
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| YMDB ID | YMDB01269 |
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| Name | TG(12:0/16:1(9Z)/18:1(9Z)) |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | TG(12:0/16:1(9Z)/18:1(9Z)) is an extremely weak basic (essentially neutral) compound (based on its pKa). Within yeast, TG(12:0/16:1(9Z)/18:1(9Z)) participates in a number of enzymatic reactions. In particular, TG(12:0/16:1(9Z)/18:1(9Z)) can be biosynthesized from DG(12:0/18:1(9Z)/0:0); which is mediated by the enzyme diacylglycerol O-acyltransferase 1. In addition, TG(12:0/16:1(9Z)/18:1(9Z)) can be converted into DG(12:0/18:1(9Z)/0:0); which is catalyzed by the enzyme triacylglycerol lipase complex. In yeast, TG(12:0/16:1(9Z)/18:1(9Z)) is involved in the metabolic pathway called the triacylglycerol metabolism tg(12:0/16:1(9z)/18:1(9z)) pathway. |
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| Structure | |
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| Synonyms | - 1-dodecanoyl-2-palmitoleoyl-3-oleoyl-glycerol
- TAG(12:0/16:1/18:1)
- TAG(12:0/16:1n7/18:1n9)
- TAG(12:0/16:1w7/18:1w9)
- TAG(46:2)
- TG(12:0/16:1/18:1)
- TG(12:0/16:1n7/18:1n9)
- TG(12:0/16:1w7/18:1w9)
- TG(46:2)
- Tracylglycerol(12:0/16:1/18:1)
- Tracylglycerol(12:0/16:1n7/18:1n9)
- Tracylglycerol(12:0/16:1w7/18:1w9)
- Tracylglycerol(46:2)
- Triacylglycerol
- Triglyceride
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| CAS number | Not Available |
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| Weight | Average: 775.253
Monoisotopic: 774.673740618 |
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| InChI Key | MIEULIUWCBAVBF-SSNYDTSRSA-N |
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| InChI | InChI=1S/C49H90O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h20,22-24,46H,4-19,21,25-45H2,1-3H3/b22-20-,24-23-/t46-/m0/s1 |
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| IUPAC Name | (2S)-3-(dodecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate |
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| Traditional IUPAC Name | (2S)-3-(dodecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate |
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| Chemical Formula | C49H90O6 |
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| SMILES | [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC |
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| Chemical Taxonomy |
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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(12:0/16:1(9Z)/18:1(9Z)) | PW007733 |    |
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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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| 19750 ± 475 umol/L | SD media with 2% raffinose | 24 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 | splash10-0062-0000490000-50f70c48ad5fca88ab2e | 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 | Not Available | | Pubchem Compound ID | Not Available | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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