16:0-18:1 PE-d31

For research use only. Not for therapeutic Use.

  • CAT Number: I043547
  • CAS Number: 326495-44-7
  • Molecular Formula: C39H45D31NO8P
  • Molecular Weight: 749.19
  • Purity: ≥95%
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16:0-18:1 PE-d31(Cat No.:I043547)is a deuterated form of phosphatidylethanolamine (PE), a major phospholipid in biological membranes. It consists of a 16-carbon saturated fatty acid (palmitic acid, 16:0) at the sn-1 position, an 18-carbon unsaturated fatty acid (oleic acid, 18:1) at the sn-2 position, and a deuterium-labeled headgroup (d31) in place of the standard hydrogen atoms. The deuterium labeling enhances its detection in mass spectrometry and lipidomics studies. This compound is used to investigate lipid metabolism, membrane dynamics, and cell signaling, providing insights into phospholipid trafficking and cellular processes.


CAS Number 326495-44-7
Synonyms

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)propan-2-yl] (Z)-octadec-9-enoate

Molecular Formula C39H45D31NO8P
Purity ≥95%
IUPAC Name 2-azaniumylethyl [(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate
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/i2D3,4D2,6D2,8D2,10D2,12D2,14D2,16D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2
InChIKey FHQVHHIBKUMWTI-UAXXPTAZSA-N
SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC
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