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Term:mercaptopurine hydrate
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Accession:CHEBI:31822 term browser browse the term
Definition:A hydrate that has formula C5H6N4OS.
Synonyms:exact_synonym: 1,7-dihydro-6H-purine-6-thione--water (1/1)
 related_synonym: 1,7-dihydro-6H-purine-6-thione hydrate;   1,7-dihydro-6H-purine-6-thione monohydrate;   6-Mercaptopurine hydrate;   6-Mercaptopurine monohydrate;   Formula=C5H4N4S.H2O;   Formula=C5H6N4OS;   InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2;   InChIKey=WFFQYWAAEWLHJC-UHFFFAOYSA-N;   SMILES=O.S=c1[nH]cnc2nc[nH]c12;   mercaptopurine monohydrate
 xref: Beilstein:10466538 "Beilstein";   CAS:6112-76-1 "ChemIDplus";   CAS:6112-76-1 "KEGG COMPOUND";   DrugBank:DB01033;   KEGG:D00161;   Patent:US2721866

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Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      chemical role 19211
        greenhouse gas 9923
          water 611
            hydrate 593
              mercaptopurine hydrate 0
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Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic molecule 19434
                              organic cyclic compound 19201
                                organic heterocyclic compound 18270
                                  organic heteropolycyclic compound 17577
                                    organic heterobicyclic compound 16245
                                      imidazopyrimidine 5417
                                        purines 5415
                                          mercaptopurine 283
                                            mercaptopurine hydrate 0
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