| Common Name |
3-Sn-phosphatidylethanolamine
| Description |
3-Sn-phosphatidylethanolamine is a major structural phospholipid found in the brain, primarily in gray matter.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29174 (3-Sn-phosphatidylethanolamine)
| Synonyms |
| Value |
Source |
2-Azaniumylethyl [(2R)-3-octadecanoyloxy-2-tetradecanoyloxypropyl] phosphateHMDB
3PEHMDB
| Chemical Formlia |
C37H74NO8P
| Average Molecliar Weight |
691.9591
| Monoisotopic Molecliar Weight |
691.515204861
| IUPAC Name |
hydrogeniylium(2-{[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)aminyl
| Traditional Name |
hydrogeniylium(2-{[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)aminyl
| CAS Registry Number |
Not Available
| SMILES |
[H][N]([H])([H+])CCOP([O-])(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
| InChI Identifier |
InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)
| InChI Key |
RFJQNULIDFTTLL-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound 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 moleclies
| Class |
Glycerophospholipids
| Sub Class |
Glycerophosphoethanolamines
| Direct Parent |
Phosphatidylethanolamines
| Alternative Parents |
Phosphoethanolamines
Fatty acid esters
Dialkyl phosphates
Dicarboxylic acids and derivatives
Carboxylic acid esters
Amino acids and derivatives
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Diacylglycero-3-phosphoethanolamine
Phosphoethanolamine
Fatty acid ester
Dialkyl phosphate
Dicarboxylic acid or derivatives
Organic phosphoric acid derivative
Phosphoric acid ester
Fatty acyl
Alkyl phosphate
Amino acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Amine
Carbonyl group
Hydrocarbon derivative
Primary amine
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
| Biofunction |
Nutrient
| Application |
Not Available
| Cellliar locations |
Not Available
| Physical Properties |
| State |
Solid
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility8.73e-05 mg/mLALOGPS
logP8.17ALOGPS
logS-6.9ALOGPS
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area138.83 Å2ChemAxon
Rotatable Bond Count39ChemAxon
Refractivity201.18 m3·mol-1ChemAxon
Polarizability84.89 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
Not Available
| Biological Properties |
| Cellliar Locations |
Not Available
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
Not Available
| KNApSAcK ID |
Not Available
| Chemspider ID |
7825683
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29174
| Metagene Link |
HMDB29174
| METLIN ID |
Not Available
| PubChem Compound |
9546733
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Ciliobrevin A
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 25113583
