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ONTOLOGY REPORT - ANNOTATIONS


Term:pentobarbital
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Accession:CHEBI:7983 term browser browse the term
Definition:A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.
Synonyms:exact_synonym: 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
 related_synonym: 5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione;   5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;   5-ethyl-5-(1-methylbutyl)barbituric acid;   5-ethyl-5-(sec-pentyl)barbituric acid;   Formula=C11H18N2O3;   InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);   InChIKey=WEXRUCMBJFQVBZ-UHFFFAOYSA-N;   Nembutal;   Pentobarbitone;   SMILES=CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
 alt_id: CHEBI:102327
 xref: Beilstein:87067;   CAS:76-74-4;   DrugBank:DB00312;   Drug_Central:2095;   Gmelin:281792;   HMDB:HMDB0014457;   KEGG:C07422;   KEGG:D00499;   LINCS:LSM-1566
 xref_mesh: MESH:D010424
 xref: PMID:15324906;   PMID:15801854;   PMID:15857133;   PMID:16720246;   PMID:1977910;   PMID:19879734;   PMID:2215478;   PMID:23246494;   PMID:23345614;   PMID:23526799;   PMID:23663566;   PMID:2579237;   PMID:3599019;   PMID:3654008;   PMID:6864729;   PMID:7154009;   PMID:9016329;   PMID:9412440;   PMID:9599235;   Reaxys:87067;   VSDB:3000;   Wikipedia:Pentobarbital


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  CHEBI ontology 847
    role 824
      biological role 824
        biophysical role 169
          membrane transport modulator 80
            GABA modulator 1
              barbiturates 1
                pentobarbital 0
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  CHEBI ontology 847
    subatomic particle 831
      composite particle 831
        hadron 831
          baryon 831
            nucleon 831
              atomic nucleus 831
                atom 831
                  main group element atom 819
                    p-block element atom 816
                      carbon group element atom 787
                        carbon atom 783
                          organic molecular entity 783
                            organic molecule 701
                              organic cyclic compound 621
                                organic heterocyclic compound 332
                                  organic heteromonocyclic compound 168
                                    diazines 8
                                      pyrimidines 3
                                        pyrimidone 2
                                          barbiturates 1
                                            pentobarbital 0
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