pyridin-1-ium-3,5-bisthiocarboxylate mononucleotide

Chemical Formula:

C₁₂H₁₃NO₉PS₂

Molecular Weight:

410.33 Daltons

Monoisotopic Mass:

411.9925839756 Daltons

SMILES:

C1(C(=CC(C(S)=O)=C[N+]=1C2(OC(COP([O-])(=O)[O-])C(O)C(O)2))C(S)=O)

InChI:

1S/C12H14NO9PS2/c14-8-7(4-21-23(18,19)20)22-10(9(8)15)13-2-5(11(16)24)1-6(3-13)12(17)25/h1-3,7-10,14-15H,4H2,(H3-,16,17,18,19,20,24,25)/p-1/t7-,8-,9-,10-/m1/s1

InChIKey:

KAWCHOIDVYCQHC-ZYUZMQFOSA-M

Synonyms

P2TMN
pyridinium-3,5-bisthiocarboxylate mononucleotide

Databases

MetaCyc: CPD-20518

PubChem (CID): 131841597