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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:isobutylglucosinolate
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Accession:CHEBI:36447 term browser browse the term
Definition:An alkylglucosinolate that is the conjugate base of isobutylglucosinolic acid.
Synonyms:exact_synonym: 1-S-[(1S)-3-methyl-N-(sulfonatooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 2-methylpropylglucosinolate;   Formula=C11H20NO9S2;   InChI=1S/C11H21NO9S2/c1-5(2)3-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(4-13)20-11/h5-6,8-11,13-16H,3-4H2,1-2H3,(H,17,18,19)/p-1/b12-7-/t6-,8-,9+,10-,11+/m1/s1;   InChIKey=SKLKAEFXBVWMJP-IIPHORNXSA-M;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\\OS([O-])(=O)=O)/CC(C)C
 cyclic_relationship: is_conjugate_base_of CHEBI:79338


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        biochemical role 25162
          metabolite 25092
            eukaryotic metabolite 24514
              plant metabolite 20905
                glucosinolate 5
                  alkylglucosinolate 5
                    isobutylglucosinolate 0
                      glucoconringiin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      chalcogen 24917
                        oxygen atom 24817
                          oxygen molecular entity 24806
                            oxide 13767
                              oxoanion 10848
                                chalcogen oxoanion 725
                                  sulfur oxoanion 723
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          isobutylglucosinolate 0
                                            glucoconringiin(1-) 0
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