For research use only. Not for therapeutic Use.
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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