Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 23:29:35 UTC |
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Update Date | 2020-05-21 16:27:28 UTC |
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BMDB ID | BMDB0007054 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) |
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Description | DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2], also known as DAG(14:1N5/20:4N6) or Dg(14:1(9z)/20:4(5z,8z,11z,14z)/0:0)[iso2], belongs to the class of organic compounds known as 1,2-dg(14:1(9z)/20:4(5z,8z,11z,14z)/0:0)[iso2]s. These are dg(14:1(9z)/20:4(5z,8z,11z,14z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] is involved in a few metabolic pathways, which include de novo triacylglycerol biosynthesis TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:0) pathway, de novo triacylglycerol biosynthesis TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) pathway, and de novo triacylglycerol biosynthesis TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:0) pathway. |
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Structure | |
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Synonyms | Value | Source |
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1-Myristoleoyl-2-arachidonoyl-sn-glycerol | ChEBI | DAG(14:1N5/20:4N6) | ChEBI | DAG(14:1W5/20:4W6) | ChEBI | DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] | ChEBI | DG(14:1N5/20:4N6) | ChEBI | DG(14:1W5/20:4W6) | ChEBI | Diacylglycerol(14:1n5/20:4n6) | ChEBI | Diacylglycerol(14:1W5/20:4W6) | ChEBI | Diacylglycerol(34:5) | HMDB | DAG(14:1/20:4) | HMDB | DG(34:5) | HMDB | DAG(34:5) | HMDB | Diglyceride | HMDB | Diacylglycerol(14:1/20:4) | HMDB | DG(14:1/20:4) | HMDB | Diacylglycerol | HMDB | 1-(9Z-Tetradecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol | HMDB | DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) | Lipid Annotator |
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Chemical Formula | C37H62O5 |
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Average Molecular Weight | 586.8852 |
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Monoisotopic Molecular Weight | 586.459725094 |
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IUPAC Name | (2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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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)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C37H62O5/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/h10-13,16-17,19-20,24,26,35,38H,3-9,14-15,18,21-23,25,27-34H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,26-24-/t35-/m0/s1 |
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InChI Key | DJCGWFGVVMXSPO-LJIUOZACSA-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 | splash10-0a5i-6492235000-7fc10fefe7c8ee2fddd7 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS ("DG(14:1(9Z)/20:4(5Z,8Z,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 | splash10-0udi-0000009000-ff7daeddd43f7110046d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03z9-0099071000-23118b22d2c85bf4191c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ilr-0099036000-8b43f94dcf34c33c9c8c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0475190000-42bd8c890138d3bcacba | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-2394010000-b97c9f96471b7d102c3c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06ri-3988100000-f08b11107b25c574d4d0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0000009000-8aac933ed65deb68f1d6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0000009000-8aac933ed65deb68f1d6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a59-0009000000-e8d580db97602e10ced8 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1073090000-16464d87b0ebb3b9c0b4 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05di-3092010000-58bde54191b45689fe5d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pdi-4293000000-c29ca784d97f3c4c7a0a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000009000-c136afc18c83a580cb86 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03z9-0099071000-36a24281289c7c8f7310 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ilr-0099036000-e32577f0c43b77c6535e | View in MoNA |
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Pathways | |
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