Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 23:29:31 UTC |
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Update Date | 2020-05-21 16:27:28 UTC |
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BMDB ID | BMDB0007051 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | DG(14:1(9Z)/20:2(11Z,14Z)/0:0) |
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Description | DG(14:1(9Z)/20:2(11Z,14Z)/0:0), also known as diacylglycerol(14:1/20:2) or DG(14:1/20:2), belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Thus, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) is considered to be a diradylglycerol lipid molecule. DG(14:1(9Z)/20:2(11Z,14Z)/0:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. DG(14:1(9Z)/20:2(11Z,14Z)/0:0) participates in a number of enzymatic reactions, within cattle. In particular, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) can be biosynthesized from PA(14:1(9Z)/20:2(11Z,14Z)) through the action of the enzyme phosphatidate phosphatase. Furthermore, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) and meadoyl-CoA can be converted into TG(14:1(9Z)/20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) through the action of the enzyme diacylglycerol O-acyltransferase. Furthermore, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) can be biosynthesized from PA(14:1(9Z)/20:2(11Z,14Z)) through its interaction with the enzyme phosphatidate phosphatase. Furthermore, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) and docosanoyl-CoA can be converted into TG(14:1(9Z)/20:2(11Z,14Z)/22:0) through its interaction with the enzyme diacylglycerol O-acyltransferase. Furthermore, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) can be biosynthesized from PA(14:1(9Z)/20:2(11Z,14Z)); which is catalyzed by the enzyme phosphatidate phosphatase. Finally, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) and nervonoyl-CoA can be converted into TG(14:1(9Z)/20:2(11Z,14Z)/24:1(15Z)) through the action of the enzyme diacylglycerol O-acyltransferase. In cattle, DG(14:1(9Z)/20:2(11Z,14Z)/0:0) is involved in a few metabolic pathways, which include de novo triacylglycerol biosynthesis TG(14:1(9Z)/20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) pathway, de novo triacylglycerol biosynthesis TG(14:1(9Z)/20:2(11Z,14Z)/22:0) pathway, and de novo triacylglycerol biosynthesis TG(14:1(9Z)/20:2(11Z,14Z)/24:1(15Z)) pathway. |
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Structure | |
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Synonyms | Value | Source |
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1-Myristoleoyl-2-eicosadienoyl-sn-glycerol | HMDB | Diacylglycerol(14:1/20:2) | HMDB | Diglyceride | HMDB | DG(14:1/20:2) | HMDB | DAG(34:3) | HMDB | Diacylglycerol | HMDB | DG(34:3) | HMDB | DAG(14:1/20:2) | HMDB | 1-(9Z-Tetradecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol | HMDB | Diacylglycerol(34:3) | HMDB | DG(14:1(9Z)/20:2(11Z,14Z)/0:0) | Lipid Annotator |
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Chemical Formula | C37H66O5 |
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Average Molecular Weight | 590.9169 |
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Monoisotopic Molecular Weight | 590.491025222 |
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IUPAC Name | (2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate |
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Traditional Name | diacylglycerol |
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CAS Registry Number | Not Available |
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SMILES | [H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC |
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InChI Identifier | InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,35,38H,3-9,14-15,18-34H2,1-2H3/b12-10-,13-11-,17-16-/t35-/m0/s1 |
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InChI Key | YMQRUULVAHFQLL-MJRSHOOBSA-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 (1 TMS) - 70eV, Positive | splash10-0aba-8694437000-8548276aa480632b4b25 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS ("DG(14:1(9Z)/20:2(11Z,14Z)/0:0),1TMS,#1" TMS) - 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 | splash10-0a4i-0000009000-2c9dba2a539fdca961d6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01cr-0099071000-8aaff2a55104bd0d861f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0689-0099036000-027ba514fa4e32482142 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000009000-06c2ad30942913111b60 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0000009000-06c2ad30942913111b60 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a50-0009000000-875fa55f7d21b57db797 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0097180000-c9c242543bfed6441d62 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000x-1495020000-d8b4fdd21c76bf42c236 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9720000000-39605ba5c9345b7a8fa7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4s-3079050000-b7cef28cb484ce4f0389 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00fr-4093000000-e4d0106d855d80d29eeb | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-056r-3692000000-b2902a8409a1c6744d4c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0000009000-418bfe830d05946bacd1 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01cr-0099071000-9c6c84b2e7fe4b16032e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0689-0099036000-8a796f9673a090f5a7a4 | View in MoNA |
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Pathways | |
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