Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:42:30 UTC |
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Update date | 2016-06-28 20:14:29 UTC |
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Primary ID | FDB024291 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | DG(16:0/15:0/0:0) |
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Description | DG(16:0/15:0/0:0) 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(16:0/15:0/0:0) 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-Palmitoyl-2-pentadecanoyl-sn-glycerol | HMDB | DAG(16:0/15:0) | HMDB | DAG(31:0) | HMDB | DG(16:0/15:0) | HMDB | DG(31:0) | HMDB | Diacylglycerol | HMDB | Diacylglycerol(16:0/15:0) | HMDB | Diacylglycerol(31:0) | HMDB | Diglyceride | HMDB | 1-Hexadecanoyl-2-pentadecanoyl-sn-glycerol | HMDB | DG(16:0/15:0/0:0) | Lipid Annotator | 1-palmitoyl-2-pentadecanoyl-sn-glycerol | hmdb |
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Predicted Properties | |
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Chemical Formula | C34H66O5 |
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IUPAC name | (2S)-3-hydroxy-2-(pentadecanoyloxy)propyl hexadecanoate |
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InChI Identifier | InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(36)38-31-32(30-35)39-34(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1 |
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InChI Key | ARIMPAYGOMZGCV-YTTGMZPUSA-N |
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Isomeric SMILES | [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
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Average Molecular Weight | 554.8848 |
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Monoisotopic Molecular Weight | 554.491025222 |
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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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Physiological effect | Health effect: |
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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 | 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 | DG(16:0/15:0/0:0), 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01w0-7398574000-1f9f4c7d5449b5aafdec | Spectrum | Predicted GC-MS | DG(16:0/15:0/0:0), "DG(16:0/15:0/0:0),1TMS,#1" TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | DG(16:0/15:0/0:0), TBDMS_1_1, 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 | splash10-00di-0000090000-661e7490c4a4f33750c7 | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dt-0099090000-24b5118cddd793c01dd0 | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03kb-0099090000-06e4c5a84216e889a90e | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0000090000-40ef0979f3418634589b | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000090000-40ef0979f3418634589b | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00e0-0019000000-c9f8c0514a03b272bd0a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udl-1093050000-6c46c8c3bea38a4abfd9 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0abc-1090000000-b02c369eec31f81627e5 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4r-1190000000-bab570d9ea151e9d919b | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-056s-1291040000-12266c86f495ba13f991 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004s-4392010000-e881d293d30a1a9a8fa9 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05di-9850000000-e2af64262b8ab6b6e124 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0000090000-6ba60dd2741c679ba5aa | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dt-0088090000-0b6f976b1a59e75f6c08 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03kb-0088090000-2c0b1ee3fb545625de7b | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 24765930 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 53478026 |
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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 | HMDB07097 |
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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 | Name | Gene Name | UniProt ID |
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Pancreatic triacylglycerol lipase | PNLIP | P16233 | Hepatic triacylglycerol lipase | LIPC | P11150 | Inactive pancreatic lipase-related protein 1 | PNLIPRP1 | P54315 | Patatin-like phospholipase domain-containing protein 3 | PNPLA3 | Q9NST1 | Gastric triacylglycerol lipase | LIPF | P07098 | Endothelial lipase | LIPG | Q9Y5X9 | Diacylglycerol O-acyltransferase 1 | DGAT1 | O75907 | Pancreatic lipase-related protein 2 | PNLIPRP2 | P54317 | Lipoprotein lipase | LPL | P06858 | 2-acylglycerol O-acyltransferase 2 | MOGAT2 | Q3SYC2 | Patatin-like phospholipase domain-containing protein 4 | PNPLA4 | P41247 | Diacylglycerol O-acyltransferase 2 | DGAT2 | Q96PD7 | 2-acylglycerol O-acyltransferase 1 | MOGAT1 | Q96PD6 | 2-acylglycerol O-acyltransferase 3 | MOGAT3 | Q86VF5 | Patatin-like phospholipase domain-containing protein 2 | PNPLA2 | Q96AD5 | Pancreatic lipase-related protein 3 | PNLIPRP3 | Q17RR3 | Choline-phosphate cytidylyltransferase A | PCYT1A | P49585 | Acyl-CoA wax alcohol acyltransferase 2 | AWAT2 | Q6E213 | Acyl-CoA wax alcohol acyltransferase 1 | AWAT1 | Q58HT5 | Galactosylceramide sulfotransferase | GAL3ST1 | Q99999 | Phosphatidate cytidylyltransferase 2 | CDS2 | O95674 | Phosphatidylcholine:ceramide cholinephosphotransferase 2 | SGMS2 | Q8NHU3 | Phosphatidylcholine:ceramide cholinephosphotransferase 1 | SGMS1 | Q86VZ5 | Diacylglycerol O-acyltransferase 2-like protein 6 | DGAT2L6 | Q6ZPD8 | Putative diacylglycerol O-acyltransferase 2-like protein 7 | DGAT2L7 | Q6IED9 | CDC42 binding protein kinase beta (DMPK-like) | CDC42BPB | A9JR72 | Kinase suppressor of Ras 2 | KSR2 | Q6VAB6 | Tensin-like C1 domain-containing phosphatase | TENC1 | Q63HR2 | Kinase suppressor of Ras 1 | KSR1 | Q8IVT5 | CDC42-binding protein kinase beta | CDC42BPA | Q8IWQ7 |
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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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