C16 Ceramide-1-phosphate Ammonium Salt-D31

Analyte Name

C16 Ceramide-1-phosphate Ammonium Salt-D31

Molecular Formula

C34H40D28N1O6P.NH3

Molecular Weight

666.11

Accurate Mass

665.7

SMILES

O=C(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])[2H])N[C@@H](COP(O)(O)=O)[C@H](O)/C=C/CCCCCCCCCCCCC.N

InChI

InChI=1S/C34H68NO6P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40);1H3/b29-27+;/t32-,33+;/m0./s1/i2D3,4D2,6D2,8D2,10D2,12D2,14D2,16D2,18D2,20D2,22D2,24D2,26D2,28D2,30D2;

IUPAC

(2S,3R,E)-2-(hexadecanamido-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-d31)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, ammonia salt

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat