Analyte Name

Dehydro Folic Acid 1,5-Dimethyl Ester-13C5,15N

Molecular Formula

13C5 C16 H23 15N N6 O6

Molecular Weight

475.407

Accurate Mass

475.185

SMILES

CO[13C](=O)[13CH2][13CH2][13C@H]([15NH]C(=O)c1ccc(NCC2=CNC3=NC(=NC(=O)C3=N2)N)cc1)[13C](=O)OC

InChI

InChI=1S/C21H23N7O6/c1-33-15(29)8-7-14(20(32)34-2)26-18(30)11-3-5-12(6-4-11)23-9-13-10-24-17-16(25-13)19(31)28-21(22)27-17/h3-6,10,14,23H,7-9H2,1-2H3,(H,26,30)(H3,22,24,27,28,31)/t14-/m0/s1/i7+1,8+1,14+1,15+1,20+1,26+1

IUPAC

dimethyl (2S)-2-[[4-[(2-amino-4-oxo-8H-pteridin-6-yl)methylamino]benzoyl](15N)amino](1,2,3,4,5-13C5)pentanedioate

Alternate CAS Number

319919-60-3

Unlabelled CAS Number

319919-60-3

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat