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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−)
ChEBI ID CHEBI:137373
ChEBI ASCII Name Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C12H11NNiO9PS2
Net Charge -1
Average Mass 467.017
Monoisotopic Mass 465.89718
InChI InChI=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
InChIKey GIEIRHLCPQGQDJ-WFFMJNDQSA-L
SMILES O(C[C@H]1O[C@@H]([N+]2=CC3=C4C(=C2)C(=[S+][Ni-]4SC3=O)O)[C@@H]([C@@H]1O)O)P([O-])(=O)[O-]
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137399) is conjugate acid of Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−) (CHEBI:137373)
Synonyms Sources
Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide UniProt
Ni2+-pyridinium-3,5-bisthiocarboxylate mononucleotide(1−) ChEBI
Citations Waiting for Citations Types Sources
26138974 PubMed citation SUBMITTER
27114550 PubMed citation SUBMITTER
Last Modified
25 July 2019