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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:Abiraterone sulfate
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Accession:CHEBI:175481 term browser browse the term
Synonyms:exact_synonym: [(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate
 related_synonym: Formula=C24H31NO4S;   InChI=1S/C24H31NO4S/c1-23-11-9-18(29-30(26,27)28)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28)/t18?,19-,21-,22-,23-,24+/m0/s1;   InChIKey=LUQSJWRTYLGZJB-ZHVNYGEGSA-N;   SMILES=S(OC1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=CC4)C=5C=CC=NC5)C)[H])(CC2)[H])[H])(CC1)C)(O)(=O)=O
 xref: Chemspider:58781810;   HMDB:HMDB0060584



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      chemical role 19422
        catalyst 8293
          sulfuric acid 8242
            sulfuric acid derivative 8242
              organic sulfate 2274
                steroid sulfate 63
                  Abiraterone sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              oxoacid 18725
                                chalcogen oxoacid 13752
                                  sulfur oxoacid 13540
                                    sulfuric acid 8242
                                      sulfuric acid derivative 8242
                                        sulfates 8237
                                          organic sulfate 2274
                                            steroid sulfate 63
                                              Abiraterone sulfate 0
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