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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 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 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 19810
    role 19758
      application 19420
        agrochemical 14503
          benfuracarb 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic ester 14367
                                        carbamate ester 7387
                                          benfuracarb 3
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