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POPE

CAT: 0931-TF0083-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TF0083-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26662-94-2
Target
Others, Liposome
Related Pathways
Others, Metabolism
Purity
0.9802
Bioactivity
POPE (1-Palmitoyl-2-oleoyl-sn-glycero-3-PE) is a compound found in Escherichia coli, part of the cell membrane, and can be used to study changes in cell membrane permeability.
Smiles
[C@@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)COP(OCCN)(=O)O
Molecular Formula
C39H76NO8P
Molecular Weight
718
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine

1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively. It has a role as a mouse metabolite. It is functionally related to a hexadecanoic acid and an oleic acid. It is a tautomer of a 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine zwitterion.

CAS Number26662-94-2
PubChem CID5283496
IUPAC Name[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
Molecular FormulaC39H76NO8P
Molecular Weight718.0
XLogP10.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count40
Heavy Atom Count49
Formal Charge0
Complexity825
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C39H76NO8P/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/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKey
FHQVHHIBKUMWTI-OTMQOFQLSA-N
Chemical Structure
2D Structure
2D structure of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
CAS: 26662-94-2
CID: 5283496
Formula: C39H76NO8P
MW: 718.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight718.0
XLogP310.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count40
Exact Mass717.53085538
Monoisotopic Mass717.53085538
Topological Polar Surface Area134 Ų
Heavy Atom Count49
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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