16:0-18:1 PA-d31 sodium

For research use only. Not for therapeutic Use.

  • CAT Number: I043544
  • CAS Number: 474943-59-4
  • Molecular Formula: C37H39D31NaO8P
  • Molecular Weight: 728.10
  • Purity: ≥95%
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16:0-18:1 PA-d31 sodium(Cat No.:I043544)is a deuterated form of phosphatidic acid (PA), consisting 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 phosphate group (d31) at the headgroup. The deuterium labeling enhances its detection in mass spectrometry and lipidomics studies. This compound is used in lipid metabolism research, especially to track the dynamics of phospholipid metabolism, membrane structure, and the role of phosphatidic acid in cell signaling and lipid trafficking.


CAS Number 474943-59-4
Synonyms

sodium;[(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] hydrogen phosphate

Molecular Formula C37H39D31NaO8P
Purity ≥95%
IUPAC Name sodium;[(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] hydrogen phosphate
InChI InChI=1S/C37H71O8P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/b18-17-;/t35-;/m1./s1/i2D3,4D2,6D2,8D2,10D2,12D2,14D2,16D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2;
InChIKey PPYXMAJBOKWTQX-VYSSPCEXSA-M
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)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
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