Analyte Name

C16-Sphingomyelin-d13

CAS Number

807617-46-5

Molecular Formula

C39 D31 H48 N2 O6 P

Molecular Weight

734.219

Accurate Mass

733.762

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)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC

InChI

InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1/i2D3,7D2,9D2,11D2,13D2,15D2,17D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2,33D2

IUPAC

[(E,2S,3R)-2-(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-hentriacontadeuteriohexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Unlabelled CAS Number

6254-89-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled

Product Format

Neat