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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:estrone 3-sulfate
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Accession:CHEBI:17474 term browser browse the term
Definition:A steroid sulfate that is the 3-sulfate of estrone.
Synonyms:exact_synonym: 17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate
 related_synonym: 3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate;   Formula=C18H22O5S;   InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1;   InChIKey=JKKFKPJIXZFSSB-CBZIJGRNSA-N;   SMILES=[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS(O)(=O)=O)ccc21;   estrone hydrogen sulfate;   estrone sulfate;   estrone sulphate
 alt_id: CHEBI:14221;   CHEBI:23972;   CHEBI:4871
 xref: Beilstein:2399598;   CAS:481-97-0;   Drug_Central:4857;   HMDB:HMDB0001425;   KEGG:C02538;   LINCS:LSM-3126
 xref_mesh: MESH:C017296
 xref: PMID:15356081;   PMID:23717534;   Reaxys:2399598
 cyclic_relationship: is_conjugate_acid_of CHEBI:60050


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            antineoplastic agent 0
              estrone 0
                estrone 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            steroid sulfate 0
                                              estrone 3-sulfate 0
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