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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 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 1:83,163,103...83,236,615
Ensembl chr 1:83,163,079...83,236,615 		JBrowse link
G Cyp2c11 cytochrome P450, subfamily 2, polypeptide 11 increases oxidation ISO CYP2C9 protein results in increased oxidation of benfuracarb CTD PMID:24016712 NCBI chr 1:257,676,172...258,004,428
Ensembl chr 1:257,970,345...258,004,434 		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 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007 		JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 increases activity
multiple interactions
increases metabolic processing
increases expression		 ISO benfuracarb results in increased activity of CYP3A4 protein
[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 chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397 		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 chr13:89,585,072...89,591,278
Ensembl chr13:89,586,283...89,591,277 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19792
      application 19465
        agrochemical 14656
          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 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic ester 14370
                                        carbamate ester 7388
                                          benfuracarb 5
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