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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
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  CHEBI ontology 19808
    role 19784
      application 19627
        agrochemical 16259
          benfuracarb 5
Path 2
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  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      chalcogen 19513
                        oxygen atom 19488
                          oxygen molecular entity 19488
                            hydroxides 19299
                              organic hydroxy compound 18923
                                alcohol 15686
                                  primary alcohol 14647
                                    ethanols 8804
                                      ethanol 8804
                                        ethyl ester 4135
                                          benfuracarb 5
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