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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide
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Accession:CHEBI:137399 term browser browse the term
Definition:A nickel coordination entity obtained by complexation of nickel(II) with pyridinium-3,5-bisthiocarboxylic acid mononucleotide.
Synonyms:related_synonym: Formula=C12H13NNiO9PS2;   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/t7-,8-,9-,10-;/m1./s1;   InChIKey=GIEIRHLCPQGQDJ-WFFMJNDQSA-N;   Ni(2+)-pyridinium-3,5-bisthiocarboxylate mononucleotide;   Ni(2+)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide;   Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide;   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
 xref: PMID:26138974;   PMID:27114550
 cyclic_relationship: is_conjugate_acid_of CHEBI:137373

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  CHEBI ontology 0
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          cofactor 0
            Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                pnictogen oxoacid 0
                                  phosphorus oxoacid 0
                                    phosphoric acids 0
                                      phosphoric acid 0
                                        phosphoric acid derivative 0
                                          phosphate 0
                                            organic phosphate 0
                                              nucleoside phosphate 0
                                                nucleotide 0
                                                  pyridine nucleotide 0
                                                    nicotinic acid nucleotide 0
                                                      nicotinic acid mononucleotide 0
                                                        nicotinic acid D-ribonucleotide 0
                                                          Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide 0
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