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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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions ISO Secobarbital inhibits the reaction [CYP3A4 protein results in increased oxidation of 7-benzyloxy-4-trifluoromethylcoumarin] CTD PMID:19299527 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
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 5:109,894,175...109,897,268
Ensembl chr 5:109,893,145...109,897,656
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 4:178,185,418...178,218,484 JBrowse link
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation ISO Secobarbital results in decreased phosphorylation of MAPK1 protein CTD PMID:15263067 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
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 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
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 chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
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 chr12:11,037,028...11,057,251
Ensembl chr12:11,036,698...11,057,251
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        xenobiotic 18436
          barbituric acid 66
            secobarbital 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  organic heteromonocyclic compound 17120
                                    diazines 12333
                                      pyrimidines 12163
                                        pyrimidone 8879
                                          barbiturates 4394
                                            barbituric acid 66
                                              secobarbital 8
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