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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:butyl 2-(methylsulfanyl)acetate
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Accession:CHEBI:156077 term browser browse the term
Definition:A carboxylic ester obtained by the formal condensation of the carboxy group of (methylthio)acetic acid with butan-1-ol.
Synonyms:exact_synonym: butyl (methylsulfanyl)acetate
 related_synonym: (methylthio)acetic acid butyl ester;   Formula=C7H14O2S;   InChI=1S/C7H14O2S/c1-3-4-5-9-7(8)6-10-2/h3-6H2,1-2H3;   InChIKey=QXJSYAFLDDZIQI-UHFFFAOYSA-N;   SMILES=CCCCOC(CSC)=O;   butyl (methylthio)acetate;   n-butyl 2-methylthioacetate
 xref: CAS:67746-25-2;   PMID:21450321


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19772
    role 19717
      biological role 19716
        biochemical role 19225
          metabolite 19202
            butyl 2-(methylsulfanyl)acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19772
    subatomic particle 19767
      composite particle 19767
        hadron 19767
          baryon 19767
            nucleon 19767
              atomic nucleus 19767
                atom 19767
                  main group element atom 19654
                    p-block element atom 19654
                      carbon group element atom 19550
                        carbon atom 19539
                          organic molecular entity 19539
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18058
                                        sulfur-containing carboxylic acid 5030
                                          thioglycolic acid 7
                                            (methylthio)acetic acid 0
                                              butyl 2-(methylsulfanyl)acetate 0
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