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Phosphatidylethanolamine

CAT: 0013-GTR19190165-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190165-02Size:5 mg
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Description
Phosphatidylethanolamine (PE) is a major mammalian phospholipid biosynthesized via phosphatidylserine decarboxylation. It is essential for membrane fusion, autophagy, and cell signaling, making it a critical reagent for lipidomics and membrane biology studies in both cellular and animal models.
CAS Number
97281-51-1
Product Name Alternative
LPI, PE, Phosphatidylethanolamines, Phosphatidylethanolamines (soy), soy
Field of Research
Metabolism Research
Solubility
Chloroform:4 mg/mL
Smiles
[R]C (OC[C@@H] (OC ([R]) =O) COP ([O-]) (OCC[NH3+]) =O) =O
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-azaniumylethyl (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphate

1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine zwitterion is a phosphatidylethanolamine 34:2 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine. It is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion and a phosphatidylethanolamine 34:2 zwitterion. It is a tautomer of a 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine.

CAS Number97281-51-1
PubChem CID46891780
IUPAC Name2-azaniumylethyl [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] phosphate
Molecular FormulaC39H74NO8P
Molecular Weight716.0
XLogP11.9
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count39
Heavy Atom Count49
Formal Charge0
Complexity858
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1
InChIKey
HBZNVZIRJWODIB-NHCUFCNUSA-N
Chemical Structure
2D Structure
2D structure of 2-azaniumylethyl (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphate
CAS: 97281-51-1
CID: 46891780
Formula: C39H74NO8P
MW: 716.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight716.0
XLogP311.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count39
Exact Mass715.51520532
Monoisotopic Mass715.51520532
Topological Polar Surface Area139 Ų
Heavy Atom Count49
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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