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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:benfuracarb
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Accession:CHEBI:3014 term browser browse the term
Definition:An ethyl ester that has formula C20H30N2O5S.
Synonyms:exact_synonym: ethyl 3-[{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}(1-methylethyl)amino]propanoate
 related_synonym: Aminofuracarb;   Formula=C20H30N2O5S;   InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3;   InChIKey=FYZBOYWSHKHDMT-UHFFFAOYSA-N;   N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-beta-alanine, ethyl ester;   SMILES=CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C
 xref: Beilstein:8347990;   CAS:82560-54-1;   KEGG:C11073
 xref_mesh: MESH:C096128
 xref: PPDB:63


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benfuracarb term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase decreases activity ISO benfuracarb metabolite results in decreased activity of ACHE protein; benfuracarb results in decreased activity of ACHE protein CTD PMID:33844597 NCBI chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651 		JBrowse link
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 increases activity
increases expression		 ISO benfuracarb results in increased activity of CYP2B6 protein
benfuracarb results in increased expression of CYP2B6 mRNA		 CTD PMID:22310298 NCBI chr 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143 		JBrowse link
G Cyp2c6 cytochrome P450, family 2, subfamily C, polypeptide 6 increases oxidation ISO CYP2C19 protein results in increased oxidation of benfuracarb CTD PMID:24016712 NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases activity
increases metabolic processing
multiple interactions
increases expression		 ISO benfuracarb results in increased activity of CYP3A4 protein
CYP3A4 protein results in increased metabolism of benfuracarb
[CYP3A4 protein results in increased metabolism of benfuracarb] which results in increased chemical synthesis of Carbofuran
benfuracarb results in increased expression of CYP3A4 mRNA		 CTD PMID:22310298 PMID:24016712 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 increases expression
increases activity		 ISO benfuracarb results in increased expression of NR1I3 mRNA
benfuracarb results in increased activity of NR1I3 protein		 CTD PMID:22310298 PMID:28927721 NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      application 19661
        agrochemical 16286
          benfuracarb 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      chalcogen 19545
                        oxygen atom 19520
                          oxygen molecular entity 19520
                            hydroxides 19332
                              organic hydroxy compound 18955
                                alcohol 15703
                                  primary alcohol 14657
                                    ethanols 8808
                                      ethanol 8808
                                        ethyl ester 4136
                                          benfuracarb 5
paths to the root