Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:54:40 -0600 |
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Update Date | 2015-06-03 17:20:42 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 1-hexadecanoyl-sn-glycerol 3-phosphate |
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Description | 1-hexadecanoyl-sn-glycerol 3-phosphate belongs to the class of Lysophosphatidic Acids. These are glycerophosphates where the glycerol is esterified with one saturated fatty acid. (inferred from compound structure) |
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Structure | |
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Synonyms: | - (2-hydroxy-3-phosphonooxypropyl) hexadecanoate
- (2-Hydroxy-3-phosphonooxypropyl) hexadecanoic acid
- 1-Hexadecanoyl-sn-glycero-3-phosphate
- 1-Hexadecanoyl-sn-glycero-3-phosphoric acid
- 1-Hexadecanoyl-sn-glycerol 3-phosphoric acid
- 1-Palmitoyl lysophosphatidate
- 1-Palmitoyl lysophosphatidic acid
- 1-Palmitoylglycerol 3-phosphate
- 1-Palmitoylglycerol 3-phosphoric acid
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Chemical Formula: | C19H39O7P |
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Weight: | Average: 410.4825 Monoisotopic: 410.243340114 |
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InChI Key: | YNDYKPRNFWPPFU-UHFFFAOYSA-N |
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InChI: | InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24) |
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CAS number: | Not Available |
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IUPAC Name: | [3-(hexadecanoyloxy)-2-hydroxypropoxy]phosphonic acid |
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Traditional IUPAC Name: | PLPA |
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SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1-acylglycerol-3-phosphates. These are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-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 | Glycerophospholipids |
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Sub Class | Glycerophosphates |
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Direct Parent | 1-acylglycerol-3-phosphates |
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Alternative Parents | |
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Substituents | - 1-acylglycerol-3-phosphate
- Fatty acid ester
- Monoalkyl phosphate
- Fatty acyl
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Carboxylic acid ester
- Secondary alcohol
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organooxygen compound
- 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: | -2 |
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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: | |
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SMPDB Pathways: | Not Available |
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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 | splash10-02n9-5940100000-a5ca92d33fddeb085287 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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LC-MS/MS | LC-MS/MS Spectrum - NA , positive | splash10-03di-0549600000-25838221a69792238ab5 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-08fr-2986700000-f3b30f5c39843042fd11 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4s-3942000000-0e96d3c410d5f67cbc44 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4s-6930000000-8e619c799b8a218b3a05 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4r-4190300000-bb83e3f01055cbe6102f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9050000000-de299cedb3cf89da4492 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-f3fc94f808e80bf00353 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0000900000-97431642e54a4a707394 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0000900000-97431642e54a4a707394 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pb9-2951500000-d6189b2a977487b10d88 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000900000-61bb60154e9d7308c06d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0000900000-61bb60154e9d7308c06d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00du-0955100000-a47b051136d1c4973480 | View in MoNA |
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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: | Resource | Link |
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CHEBI ID | 64023 | HMDB ID | HMDB0007853 | Pubchem Compound ID | 89566 | Kegg ID | C04036 | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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