Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-05-26 13:35:19 UTC |
---|
Update Date | 2016-11-09 01:21:54 UTC |
---|
Accession Number | CHEM038549 |
---|
Identification |
---|
Common Name | PE(20:0/20:0) |
---|
Class | Small Molecule |
---|
Description | PE(20:0/20:0), also known as GPEtn(40:0), 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(20:0/20:0) is considered to be a glycerophosphoethanolamine lipid molecule. PE(20:0/20:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PE(20:0/20:0) participates in a number of enzymatic reactions, within cattle. In particular, Cytidine monophosphate and PE(20:0/20:0) can be biosynthesized from CDP-ethanolamine and DG(20:0/20:0/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. Furthermore, PE(20:0/20:0) can be biosynthesized from PS(20:0/20:0); which is catalyzed by the enzyme phosphatidylserine decarboxylase. Furthermore, PE(20:0/20:0) can be biosynthesized from PS(20:0/20:0) through its interaction with the enzyme phosphatidylserine decarboxylase. Finally, Cytidine monophosphate and PE(20:0/20:0) can be biosynthesized from CDP-ethanolamine and DG(20:0/20:0/0:0) through its interaction with the enzyme choline/ethanolaminephosphotransferase. In cattle, PE(20:0/20:0) is involved in a couple of metabolic pathways, which include phosphatidylcholine biosynthesis PC(20:0/20:0) pathway and phosphatidylethanolamine biosynthesis pe(20:0/20:0) pathway. |
---|
Contaminant Sources | |
---|
Contaminant Type | Not Available |
---|
Chemical Structure | |
---|
Synonyms | Value | Source |
---|
Phophatidylethanolamine(20:0/20:0) | HMDB | GPEtn(40:0) | HMDB | Phophatidylethanolamine(40:0) | HMDB | PE(40:0) | HMDB | GPEtn(20:0/20:0) | HMDB | 1,2-Dieicosanoyl-rac-glycero-3-phosphoethanolamine | HMDB | 1,2-Diarachidonyl-rac-glycero-3-phosphoethanolamine | HMDB | PE(20:0/20:0) | Lipid Annotator |
|
---|
Chemical Formula | C45H90NO8P |
---|
Average Molecular Mass | 804.172 g/mol |
---|
Monoisotopic Mass | 803.640 g/mol |
---|
CAS Registry Number | Not Available |
---|
IUPAC Name | (2-aminoethoxy)[(2R)-2,3-bis(icosanoyloxy)propoxy]phosphinic acid |
---|
Traditional Name | 2-aminoethoxy((2R)-2,3-bis(icosanoyloxy)propoxy)phosphinic acid |
---|
SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC |
---|
InChI Identifier | InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1 |
---|
InChI Key | KPHQJKTZXVNUHH-VZUYHUTRSA-N |
---|
Chemical Taxonomy |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Glycerophospholipids |
---|
Sub Class | Glycerophosphoethanolamines |
---|
Direct Parent | Phosphatidylethanolamines |
---|
Alternative Parents | |
---|
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
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Biological Properties |
---|
Status | Detected and Not Quantified |
---|
Origin | Not Available |
---|
Cellular Locations | Not Available |
---|
Biofluid Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | Not Available |
---|
Applications | Not Available |
---|
Biological Roles | Not Available |
---|
Chemical Roles | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Appearance | Not Available |
---|
Experimental Properties | Property | Value |
---|
Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0001000090-ae7fe5a77116d9c78274 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0001000090-ae7fe5a77116d9c78274 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ik9-0309110060-997427a066ce243bda4e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000001190-4b86d566f97f8487200a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ik9-0001119160-b9479c354d0d3fdc1916 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-0001119110-8d372c541807735ba910 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0001000090-941b14ae96e408562fb8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0001000090-941b14ae96e408562fb8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ik9-0309110060-f2802bc7140fd91b3d3e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000001190-2d5e75f63fddfa4db83e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ik9-0001119160-4648f539156e56d31eae | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-0001119110-8d62b785c75d91448215 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0000001090-53464e0cb760a34e9b35 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000002290-d02d0ad527fd2cf6cb2a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0100101910-6852aba96e71a8732408 | Spectrum |
|
---|
Toxicity Profile |
---|
Route of Exposure | Not Available |
---|
Mechanism of Toxicity | Not Available |
---|
Metabolism | Not Available |
---|
Toxicity Values | Not Available |
---|
Lethal Dose | Not Available |
---|
Carcinogenicity (IARC Classification) | Not Available |
---|
Uses/Sources | Not Available |
---|
Minimum Risk Level | Not Available |
---|
Health Effects | Not Available |
---|
Symptoms | Not Available |
---|
Treatment | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
External Links |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB0009229 |
---|
FooDB ID | FDB026419 |
---|
Phenol Explorer ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
BiGG ID | Not Available |
---|
BioCyc ID | Not Available |
---|
METLIN ID | Not Available |
---|
PDB ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
Chemspider ID | Not Available |
---|
ChEBI ID | Not Available |
---|
PubChem Compound ID | 52924879 |
---|
Kegg Compound ID | Not Available |
---|
YMDB ID | Not Available |
---|
ECMDB ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
MSDS | Not Available |
---|
General References | Not Available |
---|