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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Definition:A brassinosteroid that is 24-epi-cathasterone on which the hydroxy hydrogen at position 22 has been replaced by a sulfo group.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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  CHEBI ontology 397
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            eukaryotic metabolite 328
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  CHEBI ontology 397
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                                chalcogen oxoacid 13
                                  sulfur oxoacid 13
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                                          organic sulfate 1
                                            steroid sulfate 1
                                              24-epi-cathasterone-22-O-sulfate 0
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