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CHEBI:137373 - Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−)

ChEBI IDCHEBI:137373
ChEBI NameNi(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−)
Stars
ASCII NameNi(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide; major species at pH 7.3.
Last Modified25 July 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H11NNiO9PS2
Net Charge-1
Average Mass467.019
Monoisotopic Mass465.89718
SMILESO=C1[S][Ni-]2[S+]=C(O)c3c[n+]([C@@H]4O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]4O)cc1[c]32
InChIInChI=1S/C12H13NO9PS2.Ni/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;/h2-3,7-10,14-15H,4H2,(H3-,16,17,18,19,20,24,25);/q;+1/p-2/t7-,8-,9-,10-;/m1./s1
InChIKeyGIEIRHLCPQGQDJ-WFFMJNDQSA-L
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−) (CHEBI:137373) has role cofactor (CHEBI:23357)
Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−) (CHEBI:137373) is a organophosphate oxoanion (CHEBI:58945)
Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−) (CHEBI:137373) is conjugate base of Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137399)
Incoming Relation(s)
Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137399) is conjugate acid of Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−) (CHEBI:137373)
Synonym  Source
Ni2+-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−)ChEBI
UniProt Name  Source
Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotideUniProt
Citations