4-Hydroxy Nonenal Mercapturic Acid-d3

Analyte Name

4-Hydroxy Nonenal Mercapturic Acid-d3

Molecular Formula

C14 D3 H22 N O5 S

Molecular Weight

322.435

Accurate Mass

322.164

SMILES

[2H]C([2H])([2H])C(=O)N[C@@H](CSC1CC(O)OC1CCCCC)C(=O)O

InChI

InChI=1S/C14H25NO5S/c1-3-4-5-6-11-12(7-13(17)20-11)21-8-10(14(18)19)15-9(2)16/h10-13,17H,3-8H2,1-2H3,(H,15,16)(H,18,19)/t10-,11?,12?,13?/m0/s1/i2D3

IUPAC

(2R)-3-(5-hydroxy-2-pentyloxolan-3-yl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid

Alternate CAS Number

146764-24-1

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat