pyridin-1-ium-3-carboxylate-5-thiocarboxylate mononucleotide

Chemical Formula:

C₁₂H₁₂NO₁₀PS

Molecular Weight:

393.261 Daltons

Monoisotopic Mass:

396.01542790770003 Daltons

SMILES:

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

InChI:

1S/C12H14NO10PS/c14-8-7(4-22-24(19,20)21)23-10(9(8)15)13-2-5(11(16)17)1-6(3-13)12(18)25/h1-3,7-10,14-15H,4H2,(H3-,16,17,18,19,20,21,25)/p-2/t7-,8-,9-,10-/m1/s1

InChIKey:

ALIWKEBIEDUSIU-ZYUZMQFOSA-L

Synonyms

PCTMN
pyridinium-3-thiocarboxylate-5-carboxylate mononucleotide
pyridin-1-ium
pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide

Databases

MetaCyc: CPD-20513

PubChem (CID): 131841444 137178628