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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:4-isothiocyanato-1-butene
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Accession:CHEBI:138747 term browser browse the term
Synonyms:related_synonym: Formula=C5H7NS;   InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2;   InChIKey=SKIHGKNFJKJXPX-UHFFFAOYSA-N;   SMILES=S=C=NCCC=C
 xref: Chemspider:69373;   HMDB:HMDB0033867


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24845
    role 24765
      chemical role 23146
        donor 22484
          Bronsted acid 22241
            hydracid 7099
              isothiocyanic acid 3490
                isothiocyanate 3490
                  4-isothiocyanato-1-butene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24845
    subatomic particle 24805
      composite particle 24805
        hadron 24805
          baryon 24805
            nucleon 24805
              atomic nucleus 24805
                atom 24805
                  main group element atom 24674
                    p-block element atom 24674
                      carbon group element atom 24472
                        carbon atom 24436
                          organic molecular entity 24436
                            heteroorganic entity 23835
                              organochalcogen compound 23403
                                organosulfur compound 16287
                                  isothiocyanate 3490
                                    4-isothiocyanato-1-butene 0
paths to the root