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Basic information
- CAS
998-07-2- Standard SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC- InChIKey
NEZDNQCXEZDCBI-WJOKGBTCSA-N- Molecular formula
- C33H66NO8P
- Average molar mass
- 635.9 g/mol
- Monoisotopic mass
- 635.4526047
Overview
PE(14:0/14:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
- IUPAC
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Names & synonyms
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate((2R)-3-(2-aminoethoxy(hydroxy)phosphoryl)oxy-2-tetradecanoyloxypropyl) tetradecanoateRefChem:389792(R)-Dimyristoylphosphatidylethanolamine893-415-9998-07-21,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamineDimyristoyl cephalinMFCD00036775Z37OX1ASNK
Show more names
PE(14:0/14:0)Tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl esterC33H66NO8P(2r)-3-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-(Tetradecanoyloxy)propyl TetradecanoateUNII-Z37OX1ASNK1,2-Dimyristoyl-sn-glycero-phosphoethanolamine (DMPE)Dimyristoyl phosphatidylethanolamineL-|A,|A-Dimyristoyl-|A-cephalin
Database identifiers
- CAS
998-07-2- PubChem CID
- 9852308
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 35
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 694
Experimental & physicochemical properties
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]
Physical DescriptionSolid
Collision Cross Section250.8 Ų [M-H]-
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(14:0/14:0)
Related reactions
1 records
Compound notes
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