Record Information |
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Version | 2.0 |
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Creation Date | 2012-08-09 09:25:21 -0600 |
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Update Date | 2015-06-03 17:21:44 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Glycerol-1-monopalmitate |
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Description | Glycerol-1-monopalmitate is a member of the chemical class known as Monoacylglycerols. These are glycerides consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. (inferred from compound structure) |
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Structure | |
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Synonyms: | - (.+/-.)-2,3-Dihydroxypropyl hexadecanoate
- (.+/-.)-2,3-Dihydroxypropyl hexadecanoic acid
- 1-Glycerol hexadecanoate
- 1-Glycerol hexadecanoic acid
- 1-Mono-Palmitin
- 1-Monopalmitin
- 1-Monopalmitoylglycerol
- 1-Palmitoylglycerol
- 2,3-Dihydroxypropyl palmitate
- 2,3-Dihydroxypropyl palmitate (ACD/Name 4.0)
- 2,3-Dihydroxypropyl palmitic acid
- 2,3-Dihydroxypropyl palmitic acid (ACD/Name 4.0)
- a-Monopalmitin
- Alpha-Monopalmitin
- Glycerol 1-monopalmitate
- Glycerol 1-monopalmitic acid
- Glycerol 1-palmitate
- Glycerol 1-palmitic acid
- Glycerol 3-palmitate
- Glycerol 3-palmitic acid
- Glycerol a-palmitate
- Glycerol a-palmitic acid
- Glycerol alpha-palmitate
- Glycerol alpha-palmitic acid
- Glycerol α-palmitate
- Glycerol α-palmitic acid
- Glycerol-1-monopalmitic acid
- Glyceryl palmitate
- Glyceryl palmitic acid
- Hexadecanoate, 2,3-dihydroxypropyl ester
- Hexadecanoic acid, 2,3-dihydroxypropyl ester
- Monopalmitin-monoglyceride
- Palmitate &alpha
- Palmitate a-monoglyceride
- Palmitate alpha-monoglyceride
- Palmitate α-monoglyceride
- Palmitic acid &alpha
- Palmitic acid a-monoglyceride
- Palmitic acid alpha-monoglyceride
- Palmitic acid α-monoglyceride
- α-Monopalmitin
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Chemical Formula: | C19H38O4 |
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Weight: | Average: 330.5026 Monoisotopic: 330.277009704 |
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InChI Key: | QHZLMUACJMDIAE-UHFFFAOYSA-N |
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InChI: | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3 |
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CAS number: | 542-44-9 |
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IUPAC Name: | 2,3-dihydroxypropyl hexadecanoate |
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Traditional IUPAC Name: | 2,3-dihydroxypropyl hexadecanoate |
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SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(O)CO |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 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 | Glycerolipids |
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Sub Class | Monoradylglycerols |
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Direct Parent | 1-monoacylglycerols |
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Alternative Parents | |
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Substituents | - 1-acyl-sn-glycerol
- Fatty acid ester
- Fatty acyl
- 1,2-diol
- Carboxylic acid ester
- Secondary alcohol
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Primary alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organic oxide
- 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: | 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: | |
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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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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-0uea-2910000000-f1031676aa288445a347 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-0zmi-9781100000-643946c96e7c9a486a11 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-004i-0090000000-3e613a4e3ee483f835c9 | 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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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-03di-0049000000-2a39c54b8033653c69e4 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-03di-0049000000-70e1c125397bed5f2694 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0006-0092000000-9bf156711d669b1dab93 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0006-0092000000-4ec67077af975d704c39 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-009i-0289000000-391b59aa3e60691a5b20 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-002r-0298000000-ea8ffde3f454427747f1 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-08g1-9556000000-2c8f5c705ddc7dd8b952 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-03di-1129000000-1637a0fcc4fa06e173ae | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-03dr-4379000000-ede4a1180b2f165b635c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0009000000-88db68411e5bedb3a55c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0009000000-88db68411e5bedb3a55c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0dk2-0069000000-4cd25b8eb39adecd2a0d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0009000000-4df7dd7681471e9d0873 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0009000000-4df7dd7681471e9d0873 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000b-9005000000-f3dbf30f4ae866c98cfd | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0009000000-b1b02dccfe951d4c740d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0009000000-b1b02dccfe951d4c740d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-08h0-0089000000-814ad25b0adf991e28f2 | 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: | - van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
- 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 | 69081 | HMDB ID | HMDB0031074 | Pubchem Compound ID | 1321 | Kegg ID | Not Available | ChemSpider ID | 14201 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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