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ONTOLOGY REPORT - ANNOTATIONS


Term:thiamylal
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Accession:CHEBI:9536 term browser browse the term
Definition:A member of the class of barbiturates that is 2-thioxodihydropyrimidine-4,6(1H,5H)-dione substituted by a pentan-2-yl and prop-2-en-1-yl group at position 5.
Synonyms:exact_synonym: 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
 related_synonym: 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid;   5-allyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione;   5-allyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;   Formula=C12H18N2O2S;   InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);   InChIKey=XLOMZPUITCYLMJ-UHFFFAOYSA-N;   SMILES=CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O;   dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione;   thioseconal
 xref: Beilstein:225331 "Beilstein";   CAS:77-27-0 "ChemIDplus";   CAS:77-27-0 "KEGG COMPOUND";   CAS:77-27-0 "NIST Chemistry WebBook";   DrugBank:DB01154;   Drug_Central:2626 "DrugCentral";   HMDB:HMDB0015285;   KEGG:C07846;   KEGG:D06106;   LINCS:LSM-4367
 xref_mesh: MESH:D013840
 xref: PMID:1943061 "Europe PMC";   PMID:20434100 "Europe PMC";   PMID:23852608 "Europe PMC";   PMID:24351886 "Europe PMC";   Reaxys:225331 "Reaxys";   Wikipedia:Thiamylal


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  CHEBI ontology 0
    role 0
      biological role 0
        biophysical role 0
          membrane transport modulator 0
            GABA modulator 0
              barbiturates 0
                thiamylal 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
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteromonocyclic compound 0
                                    diazines 0
                                      pyrimidines 0
                                        pyrimidone 0
                                          barbiturates 0
                                            thiamylal 0
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