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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19762
    role 19708
      biological role 19708
        hapten 3017
          butyl isothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            heteroorganic entity 19203
                              organochalcogen compound 18961
                                organosulfur compound 15256
                                  isothiocyanate 3461
                                    butyl isothiocyanate 0
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