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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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secobarbital term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases expression ISO Secobarbital results in increased expression of CYP1A2 mRNA CTD PMID:10064569 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit multiple interactions ISO Secobarbital inhibits the reaction [[Tetradecanoylphorbol Acetate co-treated with Ionomycin] results in increased expression of JUN mRNA] CTD PMID:15263067 NCBI chr 5:114,011,184...114,014,277
Ensembl chr 5:114,011,189...114,014,277
JBrowse link
G Kras KRAS proto-oncogene, GTPase multiple interactions ISO Secobarbital inhibits the reaction [[Tetradecanoylphorbol Acetate co-treated with Ionomycin] results in increased activity of KRAS protein] CTD PMID:15263067 NCBI chr 4:179,482,562...179,515,483
Ensembl chr 4:179,486,105...179,515,558
JBrowse link
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation ISO Secobarbital results in decreased phosphorylation of MAPK1 protein CTD PMID:15263067 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
JBrowse link
G Mapk3 mitogen activated protein kinase 3 decreases phosphorylation ISO Secobarbital results in decreased phosphorylation of MAPK3 protein CTD PMID:15263067 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 increases activity ISO Secobarbital results in increased activity of NR1I2 protein CTD PMID:21068194 NCBI chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
JBrowse link
G Rac1 Rac family small GTPase 1 multiple interactions ISO Secobarbital inhibits the reaction [Guanosine 5'-O-(3-Thiotriphosphate) results in increased activity of RAC1 protein] CTD PMID:15263067 NCBI chr12:13,090,316...13,111,841
Ensembl chr12:13,090,172...13,111,873
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        xenobiotic 18413
          barbituric acid 60
            secobarbital 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic heterocyclic compound 18432
                                  organic heteromonocyclic compound 16469
                                    diazines 12154
                                      pyrimidines 11972
                                        pyrimidone 8764
                                          barbiturates 4386
                                            barbituric acid 60
                                              secobarbital 7
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