16:0-[d31]-18:1 PS (sodium salt)

Catalog NumberBL-M000735
CAS Number327178-96-1
Description16:0-[d31]-18:1 PS (sodium salt) is a deuterated phosphatidylserine. PS is present in the lungs, brain, liver, and skeletal muscle.
IUPAC Namesodium;(2S)-2-azaniumyl-3-[[(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]oxypropoxy]-oxidophosphoryl]oxypropanoate
Synonyms1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-L-serine] (sodium salt)
Molecular Weight815.18
Molecular FormulaC40H44D31NO10PNa
Purity>99%
AppearancePowder; Chloroform
Shelf Life1 Year
StorageStore at −20°C
Percent CompositionC 58.94%, H 5.44%, D 7.66%, N 1.72%, Na 2.82%, O 19.63%, P 3.80%
Canonical SMILESCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
InChIInChI=1S/C40H76NO10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b18-17-;/t36-,37+;/m1./s1/i2D3,4D2,6D2,8D2,10D2,12D2,14D2,16D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2;
InChI KeyRQYKXRYGZHMUSU-XETPNRLVSA-M

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