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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 chr12:19,407,359...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 Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 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 chr12:9,207,986...9,230,038
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 20050
    role 20001
      application 19737
        agrochemical 15211
          benfuracarb 5
Path 2
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  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic group 18937
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18872
                                    carbonyl compound 18872
                                      carboxylic ester 15948
                                        carbamate ester 7458
                                          benfuracarb 5
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