Analyte Name

Levomefolate Calcium-13C5

Molecular Formula

13C5 C15 H25 N7 O6 . Ca

Molecular Weight

504.497

Accurate Mass

504.166

SMILES

[Ca].CN1[C@@H](CNc2ccc(cc2)C(=O)N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O)CNC3=C1C(=O)N=C(N)N3

InChI

InChI=1S/C20H25N7O6.Ca.2H/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);;;/t12-,13-;;;/m0.../s1/i6+1,7+1,13+1,14+1,19+1;;;

IUPAC

(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino](1,2,3,4,5-13C5)pentanedioic acid;calcium dihydride

Unlabelled CAS Number

151533-22-1

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat