OntologieschebiclassesCHEBI:137398   
JSON document
pyridinium-3,5-bisthiocarboxylic acid mononucleotide
http://purl.obolibrary.org/obo/CHEBI_137398

A pyridine nucleotide having pyridinium-3,5-bisthiocarboxylic acid as the nucleobase.

Also appears inslmgo
Exact Synonyms
1-(5-O-phosphono-beta-D-ribofuranosyl)-3,5-bis(sulfanylcarbonyl)pyridin-1-ium
Related Synonyms
Dithiodinicotinic acid mononucleotide
P2TMN
pyridinium-3,5-bisthiocarboxylate mononucleotide
class Information
charge

+1

formula

C12H15NO9PS2

has_obo_namespace

chebi_ontology

inchikey

KAWCHOIDVYCQHC-ZYUZMQFOSA-O

inchi

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

in_subset

3_STAR

mass

412.355

monoisotopicmass

411.99204

smiles

O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C(S)=O)C(S)=O)[C@@H]([C@@H]1O)O)P(O)(=O)O

class Relations