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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 isothiocyanate
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Accession:CHEBI:50534 term browser browse the term
Definition:An isothiocyanate having a butyl group attached to the nitrogen.
Synonyms:exact_synonym: 1-isothiocyanatobutane
 related_synonym: BITC;   BuNCS;   Butylsenfoel;   Formula=C5H9NS;   InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3;   InChIKey=LIMQQADUEULBSO-UHFFFAOYSA-N;   SMILES=CCCCN=C=S;   butyl mustard oil;   isothiocyanic acid n-butyl ester;   isothiocyanic acid, butyl ester;   n-butyl isothiocyanate
 xref: Beilstein:6716790;   CAS:592-82-5;   Gmelin:240184;   PMID:1774231;   PMID:21109004;   PMID:25532938;   PMID:28295200;   Reaxys:6716790


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        hapten 0
          butyl isothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organosulfur compound 0
                                  isothiocyanate 0
                                    butyl isothiocyanate 0
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