Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 01:37:19 UTC |
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Update date | 2020-04-06 23:43:24 UTC |
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Primary ID | FDB028280 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | MG(18:1(9Z)/0:0/0:0) |
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Description | MG(18:1(9Z)/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(18:1(9Z)/0:0/0:0) is made up of one 9Z-octadecenoyl(R1). |
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CAS Number | Not Available |
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Structure | |
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Synonyms | Synonym | Source |
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1-(9Z-octadecenoyl)-rac-glycerol | hmdb | 1-(9Z)-Octadecenoyl-sn-glycerol | ChEBI | 1-OG | hmdb | 1-oleoyl-glycerol | hmdb | MAG(18:1n9/0:0) | hmdb | MAG(18:1omega9/0:0) | ChEBI | MAG(18:1w9/0:0) | hmdb | MG(18:1(omega-9)/0:0/0:0) | ChEBI | MG(18:1n9/0:0) | hmdb | MG(18:1omega9/0:0) | ChEBI | MG(18:1w9/0:0 | hmdb | sn-1-Monooleoylglycerol | ChEBI |
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Predicted Properties | |
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Chemical Formula | C21H40O4 |
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IUPAC name | (2S)-2,3-dihydroxypropyl octadec-9-enoate |
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InChI Identifier | InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/t20-/m0/s1 |
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InChI Key | RZRNAYUHWVFMIP-FQEVSTJZSA-N |
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Isomeric SMILES | [H][C@](O)(CO)COC(=O)CCCCCCCC=CCCCCCCCC |
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Average Molecular Weight | 356.5399 |
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Monoisotopic Molecular Weight | 356.292659768 |
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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 | Not Available |
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Ontology |
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Ontology | No ontology term |
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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 | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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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 | Not Available | |
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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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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | MG(18:1(9Z)/0:0/0:0), 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | MG(18:1(9Z)/0:0/0:0), 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | MG(18:1(9Z)/0:0/0:0), 2 TMS, 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 | Not Available | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 23010051 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 12178130 |
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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 | HMDB11567 |
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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 | OLB |
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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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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 | Name | Gene Name | UniProt ID |
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Monoglyceride lipase | MGLL | Q99685 | 2-acylglycerol O-acyltransferase 2 | MOGAT2 | Q3SYC2 | 2-acylglycerol O-acyltransferase 1 | MOGAT1 | Q96PD6 | 2-acylglycerol O-acyltransferase 3 | MOGAT3 | Q86VF5 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 6 | ENPP6 | Q6UWR7 | Lysophosphatidic acid phosphatase type 6 | ACP6 | Q9NPH0 |
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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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