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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: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: 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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Path 1
Term Annotations click to browse term
  CHEBI ontology 5151
    role 5118
      biological role 5118
        biophysical role 207
          membrane transport modulator 123
            GABA modulator 1
              barbiturates 1
                pentobarbital 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5151
    subatomic particle 5142
      composite particle 5142
        hadron 5142
          baryon 5142
            nucleon 5142
              atomic nucleus 5142
                atom 5142
                  main group element atom 5115
                    p-block element atom 5112
                      carbon group element atom 5030
                        carbon atom 5029
                          organic molecular entity 5029
                            organic molecule 4978
                              organic cyclic compound 4919
                                organic heterocyclic compound 4708
                                  organic heteromonocyclic compound 4468
                                    diazines 41
                                      pyrimidines 7
                                        pyrimidone 6
                                          barbiturates 1
                                            pentobarbital 0
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