Analyte Name

6-Methylthioinosine Monophosphate-13C2,15N

Molecular Formula

C9¹³C2H15N3¹⁵NO7PS

Molecular Weight

381.28

Accurate Mass

381.04

SMILES

O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=[15N][13C]3=[13C]2N=CN=C3SC)COP(O)(O)=O)O

InChI

InChI=1S/C11H15N4O7PS/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20)/t5-,7-,8-,11-/m1/s1/i6+1,9+1,14+1

IUPAC

((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-(methylthio)-9H-purin-9-yl-4,5-13C2-7-15N)tetrahydrofuran-2-yl)methyl dihydrogen phosphate

Unlabelled CAS Number

7021-52-5

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat