Record Information |
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Version | 1.0 |
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Creation Date | 2016-10-03 17:32:20 UTC |
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Update Date | 2020-05-21 16:26:24 UTC |
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BMDB ID | BMDB0008933 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | PE(16:0/20:1(11Z)) |
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Description | PE(16:0/20:1(11Z)), also known as PE(36:1) or GPEtn(16:0/20:1), belongs to the class of organic compounds known as phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Thus, PE(16:0/20:1(11Z)) is considered to be a glycerophosphoethanolamine lipid molecule. PE(16:0/20:1(11Z)) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PE(16:0/20:1(11Z)) exists in all eukaryotes, ranging from yeast to humans. PE(16:0/20:1(11Z)) participates in a number of enzymatic reactions, within cattle. In particular, PE(16:0/20:1(11Z)) can be biosynthesized from PS(16:0/20:1(11Z)); which is catalyzed by the enzyme phosphatidylserine decarboxylase. Furthermore, Cytidine monophosphate and PE(16:0/20:1(11Z)) can be biosynthesized from CDP-ethanolamine and DG(16:0/20:1(11Z)/0:0) through its interaction with the enzyme choline/ethanolaminephosphotransferase. Furthermore, Cytidine monophosphate and PE(16:0/20:1(11Z)) can be biosynthesized from CDP-ethanolamine and DG(16:0/20:1(11Z)/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. Finally, PE(16:0/20:1(11Z)) can be biosynthesized from PS(16:0/20:1(11Z)) through its interaction with the enzyme phosphatidylserine decarboxylase. In cattle, PE(16:0/20:1(11Z)) is involved in a couple of metabolic pathways, which include phosphatidylethanolamine biosynthesis pe(16:0/20:1(11Z)) pathway and phosphatidylcholine biosynthesis PC(16:0/20:1(11Z)) pathway. |
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Structure | |
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Synonyms | Value | Source |
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PE(36:1) | HMDB | Phophatidylethanolamine(36:1) | HMDB | GPEtn(16:0/20:1) | HMDB | Phophatidylethanolamine(16:0/20:1) | HMDB | GPEtn(36:1) | HMDB | 1-Palmitoyl-2-eicosenoyl-sn-glycero-3-phosphoethanolamine | HMDB | 1-Hexadecanoyl-2-(11-eicosenoyl)-sn-glycero-3-phosphoethanolamine | HMDB | PE(16:0/20:1) | HMDB | PE(16:0/20:1(11Z)) | Lipid Annotator |
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Chemical Formula | C41H80NO8P |
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Average Molecular Weight | 746.0496 |
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Monoisotopic Molecular Weight | 745.562155053 |
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IUPAC Name | (2-aminoethoxy)[(2R)-3-(hexadecanoyloxy)-2-[(11Z)-icos-11-enoyloxy]propoxy]phosphinic acid |
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Traditional Name | 2-aminoethoxy(2R)-3-(hexadecanoyloxy)-2-[(11Z)-icos-11-enoyloxy]propoxyphosphinic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC |
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InChI Identifier | InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,39H,3-16,19-38,42H2,1-2H3,(H,45,46)/b18-17-/t39-/m1/s1 |
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InChI Key | CCIRMRKPMPEIFZ-WUOYJZDRSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerophospholipids |
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Sub Class | Glycerophosphoethanolamines |
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Direct Parent | Phosphatidylethanolamines |
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Alternative Parents | |
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Substituents | - Diacylglycero-3-phosphoethanolamine
- Phosphoethanolamine
- Fatty acid ester
- Dialkyl phosphate
- Dicarboxylic acid or derivatives
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Amino acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Amine
- Primary aliphatic amine
- Organic nitrogen compound
- Primary amine
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- 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 | - Cell membrane
- Intracellular membrane
- Membrane
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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 (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0011000900-bb76bb70649391c73a34 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0011000900-bb76bb70649391c73a34 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-0399410600-bab9e37756e5a4ab450e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0000001900-7176fc363ec50a2c3ca5 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4j-0003419700-4e71781424ca6cad5c0e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0003419300-98787b5c30239c49ec97 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0000001900-f16c013a0ef8ad1e73b0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4j-0003419700-8bf706dc1f351f38c4f6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0003419300-3f7998029c04e38f24ca | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0011000900-36db3ca3bcde32ad7326 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0011000900-36db3ca3bcde32ad7326 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-0399410600-905df3cbea7d3b6835e5 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0000001900-5c10bab26c2e0a3f80b0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-016r-0000001900-607ffbebec54dace7f08 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-0100201900-10e8f49546ff42a8abc8 | View in MoNA |
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