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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:glucocochlearin(1-)
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Accession:CHEBI:5402 term browser browse the term
Definition:An alkylglucosinolate that is the conjugate base of glucocochlearin.
Synonyms:exact_synonym: 1-S-[(1Z)-2-methyl-N-(sulfonatooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 1-Methylpropyl glucosinolate;   1-methylpropylglucosinolate;   Formula=C11H20NO9S2;   Glucocochlearin;   InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/p-1/b12-10-/t5?,6-,7-,8+,9-,11+/m1/s1;   InChIKey=TUSWQPFNQXCPGB-ANPCENJRSA-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)/C(CC)C;   sec-butylglucosinolate
 xref: CAS:499-24-1;   KEGG:C08407;   KNApSAcK:C00001468
 cyclic_relationship: is_conjugate_base_of CHEBI:79329



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Term Annotations click to browse term
  CHEBI ontology 21791
    role 21770
      biological role 21768
        biochemical role 21001
          metabolite 20950
            eukaryotic metabolite 20804
              plant metabolite 18618
                glucosinolate 5
                  alkylglucosinolate 5
                    glucocochlearin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21791
    subatomic particle 21777
      composite particle 21777
        hadron 21777
          baryon 21777
            nucleon 21777
              atomic nucleus 21777
                atom 21777
                  main group element atom 21694
                    p-block element atom 21694
                      chalcogen 20858
                        oxygen atom 20837
                          oxygen molecular entity 20837
                            oxide 12362
                              oxoanion 9288
                                chalcogen oxoanion 622
                                  sulfur oxoanion 621
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          glucocochlearin(1-) 0
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