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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:secobarbital
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Accession:CHEBI:9073 term browser browse the term
Definition:A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups.
Synonyms:exact_synonym: 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione
 related_synonym: 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;   5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;   5-allyl-5-(1-methylbutyl)barbituric acid;   5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione;   Formula=C12H18N2O3;   InChI=1S/C12H18N2O3/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=KQPKPCNLIDLUMF-UHFFFAOYSA-N;   SMILES=CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O;   Seconal;   quinalbarbitone;   secobarbitalum;   secobarbitone
 xref: Beilstein:225330;   CAS:76-73-3;   DrugBank:DB00418;   Drug_Central:2428;   Gmelin:283703;   HMDB:HMDB0014562;   KEGG:D00430
 xref_mesh: MESH:D012631
 xref: Reaxys:225330;   Wikipedia:Secobarbital
 cyclic_relationship: is_conjugate_acid_of CHEBI:60810

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  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          barbituric acid 0
            secobarbital 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
                                            barbituric acid 0
                                              secobarbital 0
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