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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:glucocheirolin
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Accession:CHEBI:5400 term browser browse the term
Definition:A sulfone that has formula C11H20NO11S3.
Synonyms:exact_synonym: 1-S-[4-(methylsulfonyl)-N-(sulfonatooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 3-Methylsufonylpropyl glucosinolate;   4-methylsulfonylbutylglucosinolate;   Formula=C11H20NO11S3;   InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/p-1/t6-,8-,9+,10-,11+/m1/s1;   InChIKey=OFKKQTQFWWIRBD-ZHVGPZTNSA-M;   SMILES=CS(=O)(=O)CCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O
 xref: Beilstein:5664221;   CAS:15592-36-6;   KEGG:C08405;   KNApSAcK:C00001466


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          sulfur atom 0
            sulfur molecular entity 0
              organosulfur compound 0
                sulfone 0
                  glucocheirolin 0
Path 2
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  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
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            oxide 0
                              oxoanion 0
                                chalcogen oxoanion 0
                                  sulfur oxoanion 0
                                    glycosinolate 0
                                      glucosinolate 0
                                        alkylglucosinolate 0
                                          propylglucosinolate 0
                                            glucocheirolin 0
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