Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:05:39 UTC |
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Update date | 2018-05-28 23:10:46 UTC |
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Primary ID | FDB003078 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Glycerol 1-octadecanoate |
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Description | Glycerol 1-monostearate, also known as mag(18:0/0:0) or 1-octadecanoylglycerol, belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. Glycerol 1-monostearate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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CAS Number | 123-94-4 |
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Structure | |
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Synonyms | Synonym | Source |
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1-Octadecanoylglycerol | ChEBI | 1-Stearoyl-glycerol | ChEBI | Glycerol 1-octadecanoate | ChEBI | Glyceryl monostearate | ChEBI | MAG(18:0) | ChEBI | MAG(18:0/0:0) | ChEBI | MG(18:0) | ChEBI | MG(18:0/0:0) | ChEBI | Glycerol 1-octadecanoic acid | Generator | Glyceryl monostearic acid | Generator | Glycerol 1-monostearic acid | Generator | (1)-2,3-Dihydroxypropyl stearate | HMDB | 1,2,3-Propanetriol 1-octadecanoyl ester | HMDB | 1,2,3-Propanetriol monooctadecanoate | HMDB | 1,2,3-Propanetriol, homopolymer, isooctadecanoate | HMDB | 1-Glyceryl stearate | HMDB | 1-mono-Stearin | HMDB | 1-Monooctadecanoyl-rac-glycerol | HMDB | 1-Monostearin | HMDB | 1-Monostearoylglycerol | HMDB | 1-O-Octadecanoylglycerol | HMDB | 1-O-Stearoylglycerol | HMDB | 1-Stearoyl-rac-glycerol | HMDB | 2,3-Dihydroxypropyl stearate | HMDB | 3-Stearoyloxy-1,2-propanediol | HMDB | a-Monostearin | HMDB | alpha-Monostearin | HMDB | Cefatin | HMDB | Dermagine | HMDB | e471? | HMDB | FEMA 2527 | HMDB | Glycerin 1-monostearate | HMDB | Glycerin 1-stearate | HMDB | Glycerol 1-monostearate | HMDB | Glycerol 1-stearate | HMDB | Glycerol alpha -monostearate | HMDB | Glycerol alpha -sterate | HMDB | Glycerol alpha-monostearate | HMDB | Glyceryl 1-monostearate | HMDB | Glyceryl-1-monostearate | HMDB | Octadecanoic acid 2,3-dihydroxypropyl ester | HMDB | Octadecanoic acid, 2,3-dihydroxypropyl ester | HMDB | Octadecanoic acid, ester with 1,2,3-propanetriol | HMDB | Stearic acid 1-monoglyceride | HMDB | Stearic acid alpha -monoglyceride | HMDB | Stearic acid alpha-monoglyceride | HMDB | Monostearin | MeSH | Alpha-monostearin | biospider | E471? | db_source | Glycerol α-monostearate | biospider | Glycerol α-sterate | biospider | Stearic acid α-monoglyceride | biospider | Stearin, 1-mono- | biospider |
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Predicted Properties | |
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Chemical Formula | C21H42O4 |
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IUPAC name | 2,3-dihydroxypropyl octadecanoate |
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InChI Identifier | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3 |
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InChI Key | VBICKXHEKHSIBG-UHFFFAOYSA-N |
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Isomeric SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO |
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Average Molecular Weight | 358.5558 |
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Monoisotopic Molecular Weight | 358.308309832 |
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Classification |
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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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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 70.35%; H 11.81%; O 17.85% | DFC |
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Melting Point | Mp 77-79° (± -form) | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | [a]27Hg -34.1 (EtOH) (R-form) | DFC |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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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 | JRD83-X:CQN09-X |
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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 | C00030409 |
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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 | rw1026741 |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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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 | Flavor | Citations |
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mild |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| fatty |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| waxy |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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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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