Record Information |
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Version | 1.0 |
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Creation date | 2020-04-20 17:37:48 UTC |
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Update date | 2020-04-21 18:02:36 UTC |
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Primary ID | FDB112192 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | MG(P-18:0/0:0/0:0) |
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Description | MG(P-18:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(P-18:0/0:0/0:0) is made up of one 1Z-octadecenyl(R1). |
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CAS Number | Not Available |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C21H42O3 |
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IUPAC name | (2S)-3-[(1Z)-octadec-1-en-1-yloxy]propane-1,2-diol |
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InChI Identifier | InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h17-18,21-23H,2-16,19-20H2,1H3/b18-17-/t21-/m0/s1 |
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InChI Key | WXWPBUKRBCYIMR-OGLOHFSISA-N |
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Isomeric SMILES | [H][C@](O)(CO)CO\C=C/CCCCCCCCCCCCCCCC |
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Average Molecular Weight | 342.5564 |
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Monoisotopic Molecular Weight | 342.31339521 |
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Classification |
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Description | Belongs to the class of organic compounds known as glycerol vinyl ethers. These are lipids containing a vinyl ether derivative of glycerol. |
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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 | Glycerol vinyl ethers |
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Direct Parent | Glycerol vinyl ethers |
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Alternative Parents | |
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Substituents | - Glycerol vinyl ether
- Monoradylglycerol
- Secondary alcohol
- 1,2-diol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | MG(P-18:0/0:0/0:0), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-9522000000-0648546cc503b4c8335c | Spectrum | Predicted GC-MS | MG(P-18:0/0:0/0:0), 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9541300000-efd7e4fb3112e64dc9d6 | Spectrum | Predicted GC-MS | MG(P-18:0/0:0/0:0), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-1029000000-86a28a90d96e2a6e724f | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0kdi-9364000000-6eb94753fc24766bbe39 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0zic-9660000000-0fc2fabe0d71efa65840 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-2039000000-2b365febf58959bf1d8c | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-060c-8094000000-f790818d7e947f008d85 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0abc-9040000000-2297dbd7a9f5424a259a | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-056u-9135000000-ced185e311bc29fba73d | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a6r-9232000000-5c9fbf28d6fdc56a0e2d | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-ed5d55a35b491f17e3af | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-1019000000-3b0002a435a4257345df | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00r6-9040000000-e897728eb787640c14c5 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014r-4390000000-0ebabe6a97ee569852b6 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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