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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:orbencarb
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Accession:CHEBI:7778 term browser browse the term
Definition:A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom.
Synonyms:exact_synonym: S-(2-chlorobenzyl) diethylcarbamothioate
 related_synonym: Diethylthiocarbamic acid S-(o-chlorobenzyl) ester;   Formula=C12H16ClNOS;   InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3;   InChIKey=LLLFASISUZUJEQ-UHFFFAOYSA-N;   S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate;   SMILES=CCN(CC)C(=O)SCc1ccccc1Cl
 xref: CAS:34622-58-7;   KEGG:C11087;   PPDB:493;   Patent:WO2004010784;   Patent:WO2009053095;   Pesticides:orbencarb;   Reaxys:1968914


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        xenobiotic 18731
          orbencarb 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  ester 17247
                                    thiocarboxylic ester 200
                                      thiocarbamic ester 20
                                        monothiocarbamic ester 13
                                          orbencarb 0
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