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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:24-epi-cathasterone-22-O-sulfate
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Accession:CHEBI:136768 term browser browse the term
Definition:A brassinosteroid that is 24-epi-cathasterone on which the hydroxy hydrogen at position 22 has been replaced by a sulfo group.
Synonyms:exact_synonym: (22S)-3beta-hydroxy-6-oxo-5alpha-ergostan-22-yl hydrogen sulfate
 related_synonym: (3beta,5alpha,22S)-3-hydroxy-6-oxoergostan-22-yl hydrogen sulfate;   24-epi-cathasterone-22-sulfate;   24-epicathasterone-22-O-sulfate;   Formula=C28H48O6S;   InChI=1S/C28H48O6S/c1-16(2)17(3)13-26(34-35(31,32)33)18(4)21-7-8-22-20-15-25(30)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-24,26,29H,7-15H2,1-6H3,(H,31,32,33)/t17-,18-,19-,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1;   InChIKey=MMHKTOGFTDNQOU-QDUMAPLTSA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC([C@]2(C[C@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H]([C@H](C[C@@H](C(C)C)C)OS(O)(=O)=O)C)[H])[H])C)[H])C


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Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      biological role 19769
        biochemical role 19389
          metabolite 19364
            eukaryotic metabolite 19052
              plant metabolite 17458
                Brassica napus metabolite 30
                  24-epi-cathasterone-22-O-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      chalcogen 19469
                        oxygen atom 19445
                          oxygen molecular entity 19445
                            hydroxides 19180
                              oxoacid 18498
                                chalcogen oxoacid 11491
                                  sulfur oxoacid 11099
                                    sulfuric acid 8012
                                      sulfuric acid derivative 8012
                                        sulfates 8008
                                          organic sulfate 1945
                                            steroid sulfate 62
                                              24-epi-cathasterone-22-O-sulfate 0
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