Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 23:34:24 UTC |
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Update Date | 2020-05-21 16:27:55 UTC |
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BMDB ID | BMDB0007291 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0) |
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Description | DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2], also known as dg(18:3(6z,9z,12z)/22:2(13z,16z)/0:0)[iso2] or Dg(18:3(6z,9z,12z)/22:2(13z,16z)/0:0)[iso2], belongs to the class of organic compounds known as 1,2-dg(18:3(6z,9z,12z)/22:2(13z,16z)/0:0)[iso2]s. These are dg(18:3(6z,9z,12z)/22:2(13z,16z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2] is involved in a few metabolic pathways, which include de novo triacylglycerol biosynthesis TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/24:1(15Z)) pathway, phosphatidylethanolamine biosynthesis pe(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) pathway, and de novo triacylglycerol biosynthesis TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/24:0) pathway. |
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Structure | |
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Synonyms | Value | Source |
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1-g-Linolenoyl-2-docosadienoyl-sn-glycerol | HMDB | 1-gamma-Linolenoyl-2-docosadienoyl-sn-glycerol | HMDB | DAG(18:3/22:2) | HMDB | DAG(18:3N6/22:2N6) | HMDB | DAG(18:3W6/22:2W6) | HMDB | DAG(40:5) | HMDB | DG(18:3/22:2) | HMDB | DG(18:3N6/22:2N6) | HMDB | DG(18:3W6/22:2W6) | HMDB | DG(40:5) | HMDB | Diacylglycerol | HMDB | Diacylglycerol(18:3/22:2) | HMDB | Diacylglycerol(18:3n6/22:2n6) | HMDB | Diacylglycerol(18:3W6/22:2W6) | HMDB | Diacylglycerol(40:5) | HMDB | Diglyceride | HMDB | 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycerol | HMDB | DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0) | Lipid Annotator |
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Chemical Formula | C43H74O5 |
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Average Molecular Weight | 671.0447 |
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Monoisotopic Molecular Weight | 670.553625478 |
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IUPAC Name | (2S)-1-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate |
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Traditional Name | diacylglycerol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,27,29,41,44H,3-10,15-16,20-22,24-26,28,30-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-,29-27-/t41-/m0/s1 |
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InChI Key | RTZSIOQKPJZTKI-FZDCKXQYSA-N |
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Chemical Taxonomy |
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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 | |
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Ontology |
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Status | Expected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000009000-952711fd2112e55cd8a3 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f7c-0009004000-ccc16697745d7008a1ff | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000l-0009004000-34af65a87f394c4aaceb | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000009000-8c89de08aef23f3e4e34 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f7c-0009004000-c0a6ca70e47f282f8bad | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000l-0009004000-ac34db9cf344bab1d381 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-2046109000-4a2c53f4a005df763a58 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0629-8089001000-e525312c1f8d6509e229 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-4095000000-24dba8b78c891237cccd | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0g4i-4239158000-a4ae1eac6796dcc267be | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-3129000000-99027cf9c1269feb7c2c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-4829100000-6024bea772bb9e32926c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000009000-d863793907e0818673ab | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000009000-d863793907e0818673ab | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0aor-0009601000-8c43c9a8c955ea5a8960 | View in MoNA |
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Pathways | |
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