Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:19:48 UTC
Update Date2022-08-12 20:09:38 UTC
Metabolite IDMMDBc0056218
Metabolite Identification
Common NameNi(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide
DescriptionNi(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-) belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Based on a literature review very few articles have been published on Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-).
Structure
Synonyms
ValueSource
Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotideChEBI
Ni(2+)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-)ChEBI
Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotideGenerator
Ni(2+)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide(1-)Generator
Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide(1-)Generator
Molecular FormulaC12H11NNiO9PS2
Average Mass467.01
Monoisotopic Mass465.897176
IUPAC Namelambda1-nickel(1+) ion {1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-5-(sulfanylcarbonyl)-2H-1lambda5-pyridin-1-ylium-3-carbonyl}sulfanide
Traditional Namelambda1-nickel(1+) ion 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-5-(sulfanylcarbonyl)-2H-1lambda5-pyridin-1-ylium-3-carbonylsulfanide
CAS Registry NumberNot Available
SMILES
[Ni+].[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(O[C@]1([H])COP([O-])([O-])=O)[N+]1=CC(=C=C([CH]1)C([S-])=O)C(S)=O
InChI Identifier
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
InChI KeyGIEIRHLCPQGQDJ-WFFMJNDQSA-L