Record Information |
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Version | 2.0 |
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Created at | 2022-04-28 23:18:16 UTC |
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Updated at | 2022-04-28 23:18:16 UTC |
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NP-MRD ID | NP0078181 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1-Monopalmitin |
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Description | MG(16:0/0:0/0:0), Also known as (S)-1-monopalmitin or alpha-monopalmitin, belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. Thus, MG(16:0/0:0/0:0) Is considered to be a monoradylglycerol lipid molecule. MG(16:0/0:0/0:0) Is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. MG(16:0/0:0/0:0) Exists in all living organisms, ranging from bacteria to humans. 1-Monopalmitin is found in Acorus calamus, Averrhoa carambola , Morinda citrifolia, Morinda citrifolia L , Solanum tuberosum and Triticum aestivum . A 1-acyl-sn-glycerol that has hexadecanoyl (palmitoyl) as the 1-acyl group. |
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Structure | [H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCC 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/t18-/m0/s1 |
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Synonyms | Value | Source |
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(2S)-1-O-Hexadecanoylglycerol | ChEBI | (2S)-1-O-Palmitoylglycerol | ChEBI | (S)-1-Monopalmitin | ChEBI | (S)-2,3-Dihydroxypropyl N-hexadecanoate | ChEBI | MG (16:0/0:0/0:0) | ChEBI | sn-1-Palmitoylmonoglyceride | ChEBI | sn-1-Palmitoylmonoglycerol | ChEBI | (S)-2,3-Dihydroxypropyl N-hexadecanoic acid | Generator | 1-Glyceryl hexadecanoate | HMDB | Palmitoyl glycerol, (+,-)-isomer | HMDB | rac-1(3)-Palmitoyl glycerol | HMDB | 1-Monohexadecanoylglycerol | HMDB | 1-Monohexadecanoyl-rac-glycerol | HMDB | 1-Monopalmitin | HMDB | Palmitoyl glycerol | HMDB | Palmitoyl glycerol, hexadecanoic-1-(14)C-labeled CPD, (R)-isomer | HMDB | 1-Hexadecanoylglycerol | HMDB | 1-Palmitoylglycerol | HMDB | 2,3-Dihydroxypropyl hexadecanoate | HMDB | alpha-Monopalmitin | HMDB | Glycerol 1-monopalmitate | HMDB | Glycerol 1-palmitate | HMDB | Glycerol 3-palmitate | HMDB | Glyceryl palmitate | HMDB | Hexadecanoic acid, 2,3-dihydroxypropyl ester | HMDB | Palmitic acid alpha-monoglyceride | HMDB | Palmitin, 1-mono | HMDB | Glycerol 1-hexadecanoic acid | HMDB | 2,3-Dihydroxypropyl hexadecanoic acid | HMDB | a-Monopalmitin | HMDB | Α-monopalmitin | HMDB | Glycerol 1-monopalmitic acid | HMDB | Glycerol 1-palmitic acid | HMDB | Glycerol 3-palmitic acid | HMDB | Glyceryl palmitic acid | HMDB | Hexadecanoate, 2,3-dihydroxypropyl ester | HMDB | Palmitate a-monoglyceride | HMDB | Palmitate alpha-monoglyceride | HMDB | Palmitate α-monoglyceride | HMDB | Palmitic acid a-monoglyceride | HMDB | Palmitic acid α-monoglyceride | HMDB | (+-)-2,3-Dihydroxypropyl hexadecanoate | HMDB | (1)-2,3-Dihydroxypropyl palmitate | HMDB | (C16-C22)Trialkyl glyceride | HMDB | (S)-2,3-Dihydroxypropyl palmitate | HMDB | 1,2,3-Propanetriol 1-hexandecanoyl ester | HMDB | 1-Hexadecanoyl-sn-glycerol | HMDB | 1-mono-Palmitin | HMDB | 1-MONOPALMITOYL-rac-glycerol | HMDB | 1-Monopalmitoylglycerol | HMDB | 1-O-Hexadecanoylglycerol | HMDB | 2,3-Dihydroxypropyl ester(.+/-.)-hexadecanoic acid | HMDB | 2,3-Dihydroxypropyl palmitate | HMDB | alpha -Monopalmitin | HMDB | DL-alpha-Palmitin | HMDB | Glycerol 1-monohexadecanoate | HMDB | Glycerol alpha -palmitate | HMDB | Glycerol palmitate | HMDB | Glyceryl monopalmitate | HMDB | Hexadecanoic acid, 2,3-bishydroxy propyl ester | HMDB | Hexadexanoic acid 2,3-dihydroxypropyl ester | HMDB | L-(-)-alpha-Monopalmitin | HMDB | Monopalmitin | HMDB | Palmitic acid alpha -monoglyceride | HMDB | Palmitin, 1-mono- (8ci) | HMDB | rac-1-Palmitoylglycerol | HMDB | rac-Glycerol 1-palmitate | HMDB | Glycerol 1-hexadecanoate | HMDB | (±)-1-hexadecanoylglycerol | HMDB | (±)-1-monopalmitin | HMDB | (±)-1-O-hexadecanoylglycerol | HMDB | 1-Glycerol hexadecanoates | HMDB | 1-Glyceryl monohexadecanoate | HMDB | 1-O-Palmitoyl-DL-glycerol | HMDB | 1-O-Palmitoylglycerol | HMDB | 1-Palmitoyl-rac-glycerol | HMDB | DL-1-Monopalmitin | HMDB | Hexadecanoic acid alpha-monoglyceride | HMDB | Hexadecanoic acid α-monoglyceride | HMDB |
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Chemical Formula | C19H38O4 |
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Average Mass | 330.5026 Da |
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Monoisotopic Mass | 330.27701 Da |
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IUPAC Name | (2S)-2,3-dihydroxypropyl hexadecanoate |
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Traditional Name | (2S)-2,3-dihydroxypropyl hexadecanoate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCC |
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InChI Identifier | 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/t18-/m0/s1 |
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InChI Key | QHZLMUACJMDIAE-SFHVURJKSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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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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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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