Record Information |
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Version | 1.0 |
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Creation date | 2019-08-09 19:58:42 UTC |
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Update date | 2020-04-06 23:40:24 UTC |
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Primary ID | FDB064941 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | DG(10:0/i-15:0/0:0) |
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Description | DG(10:0/i-15:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/i-15:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. |
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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-decanoyl-2-isopentadecanoyl-sn-glycerol | SMPDB, HMDB | DG(10:0/i-15:0) | SMPDB, HMDB | DG(25:0) | SMPDB, HMDB | Dag(10:0/i-15:0) | SMPDB, HMDB | Dag(25:0) | SMPDB, HMDB | Diacylglycerol(10:0/i-15:0) | SMPDB, HMDB | Diacylglycerol(25:0) | SMPDB, HMDB | Diacylglycerol | SMPDB, HMDB | Diglyceride | SMPDB, HMDB | DG(10:0/i-15:0/0:0) | SMPDB | 1-animal fats-2-isopentadecanoyl-sn-glycerol | Lipid Annotator, HMDB | 1-decanoic acid-2-isopentadecanoyl-sn-glycerol | Lipid Annotator, HMDB | (2S)-1-(Decanoyloxy)-3-hydroxypropan-2-yl 13-methyltetradecanoic acid | Generator, HMDB |
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Predicted Properties | |
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Chemical Formula | C28H54O5 |
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IUPAC name | (2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl 13-methyltetradecanoate |
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InChI Identifier | InChI=1S/C28H54O5/c1-4-5-6-7-11-15-18-21-27(30)32-24-26(23-29)33-28(31)22-19-16-13-10-8-9-12-14-17-20-25(2)3/h25-26,29H,4-24H2,1-3H3/t26-/m0/s1 |
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InChI Key | SVCQVHROHRDUJG-SANMLTNESA-N |
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Isomeric SMILES | [H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C |
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Average Molecular Weight | 470.735 |
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Monoisotopic Molecular Weight | 470.397124839 |
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Classification |
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Description | Belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. |
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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 | Diradylglycerols |
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Direct Parent | 1,2-diacylglycerols |
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Alternative Parents | |
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Substituents | - 1,2-acyl-sn-glycerol
- Fatty acid ester
- Fatty acyl
- Dicarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- 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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Disposition | Source: |
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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 | 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 | DG(10:0/i-15:0/0:0), 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ba-8902220000-f88b3c33be2a35d13fa2 | Spectrum | Predicted GC-MS | DG(10:0/i-15:0/0:0), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | DG(10:0/i-15:0/0:0), 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 | splash10-000i-0000900000-58096db75c52923d5681 | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0fbb-0090400000-60781c311e0e858e6969 | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004t-0090400000-5b2f94a46e733bc729ff | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000900000-00892ad2377a26943ef5 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000900000-00892ad2377a26943ef5 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ur0-0197100000-7a0c51d61122d430be11 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000900000-7a02190fb3bdb7a2ef1c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0fbb-0090400000-63caa8066d8bd22dd720 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004t-0090400000-695d34a30471adb6ec74 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00ba-2290400000-94725d9fb11eb0feb43f | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056r-9670100000-8ee4d1b37cae1f569862 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a6r-9320000000-b8e353a6723c7dfce020 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014l-1390600000-83d8c02f870fade09a7b | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00xr-2690100000-6d33a57a614982d823f2 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-1940000000-c27727a46251de90736d | 2021-09-25 | 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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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 | 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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