Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 12:38:08 UTC |
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Update Date | 2016-11-09 01:21:50 UTC |
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Accession Number | CHEM038227 |
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Identification |
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Common Name | PE(15:0/22:0) |
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Class | Small Molecule |
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Description | PE(15:0/22:0), also known as pe(15:0/22:0), 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(15:0/22:0) is considered to be a glycerophosphoethanolamine lipid molecule. PE(15:0/22:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PE(15:0/22:0) participates in a number of enzymatic reactions, within cattle. In particular, Cytidine monophosphate and PE(15:0/22:0) can be biosynthesized from CDP-ethanolamine and DG(15:0/22:0/0:0) through its interaction with the enzyme choline/ethanolaminephosphotransferase. Furthermore, PE(15:0/22:0) can be biosynthesized from PS(15:0/22:0); which is mediated by the enzyme phosphatidylserine decarboxylase. Furthermore, PE(15:0/22:0) can be biosynthesized from PS(15:0/22:0) through its interaction with the enzyme phosphatidylserine decarboxylase. Finally, Cytidine monophosphate and PE(15:0/22:0) can be biosynthesized from CDP-ethanolamine and DG(15:0/22:0/0:0) through the action of the enzyme choline/ethanolaminephosphotransferase. In cattle, PE(15:0/22:0) is involved in a couple of metabolic pathways, which include phosphatidylcholine biosynthesis PC(15:0/22:0) pathway and phosphatidylethanolamine biosynthesis pe(15:0/22:0) pathway. |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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1-Pentadecanoyl-2-behenoyl-sn-glycero-3-phosphoethanolamine | ChEBI | PE (37:0) | ChEBI | Phosphatidylethanolamine (15:0/22:0) | ChEBI | Phosphatidylethanolamine (37:0) | ChEBI | GPEtn(15:0/22:0) | HMDB | GPEtn(37:0) | HMDB | PE(37:0) | HMDB | Phophatidylethanolamine(15:0/22:0) | HMDB | Phophatidylethanolamine(37:0) | HMDB | 1-Pentadecanoyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine | HMDB | PE(15:0/22:0) | Lipid Annotator |
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Chemical Formula | C42H84NO8P |
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Average Molecular Mass | 762.092 g/mol |
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Monoisotopic Mass | 761.593 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | (2-aminoethoxy)[(2R)-2-(docosanoyloxy)-3-(pentadecanoyloxy)propoxy]phosphinic acid |
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Traditional Name | 2-aminoethoxy(2R)-2-(docosanoyloxy)-3-(pentadecanoyloxy)propoxyphosphinic acid |
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SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
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InChI Identifier | InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)/t40-/m1/s1 |
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InChI Key | IXKGMCOCPZEZER-RRHRGVEJSA-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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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0011000900-e14d36fc6b6cd5a04228 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0011000900-e14d36fc6b6cd5a04228 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01pc-0399330600-e4dcf5f9c003f0dd8270 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000001900-5ad7e74aff9e8235dff7 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0229-0011339700-1c9d2bc72aa734dce963 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-0011339300-bbdefa5d15ec424e3fe7 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0011000900-17029d3ccd1e5db062f3 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0011000900-17029d3ccd1e5db062f3 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01pc-0399330600-bc4f542ec7c4987521a4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000001900-26c91dcda5ab0a3e5ed9 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0229-0011339700-6aa7d1fb0462b1f0f409 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-0011339300-4363e26df953f97655e2 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000001900-b75e6756ccce3582bb1b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001l-0000001900-05b38c96e64da93ef6d1 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0100201900-65d80c19d2d36547dfb6 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0008907 |
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FooDB ID | FDB026097 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | 134232 |
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PubChem Compound ID | 52924172 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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