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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:6-ketoestriol
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Accession:CHEBI:145763 term browser browse the term
Definition:A 3-hydroxy steroid that is estriol carrying an oxo group at position 6.
Synonyms:exact_synonym: 3,16alpha,17beta-trihydroxyestra-1,3,5(10)-trien-6-one
 related_synonym: (1R,2R,3aS,3bR,9bS,11aS)-1,2,7-trihydroxy-11a-methyl-1,2,3,3a,3b,4,9b,10,11,11a-decahydro-5H-cyclopenta[a]phenanthren-5-one;   6-oxo-16alpha,17beta-estriol;   6-oxo-estriol;   6-oxoestratriol;   6-oxoestriol;   Formula=C18H22O4;   InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1;   InChIKey=PYFIDTBVOMQKDC-XCYHEEQWSA-N;   SMILES=O[C@@H]1[C@@]2([C@]([C@]3([C@](CC2)(C4=C(C(=O)C3)C=C(O)C=C4)[H])[H])(C[C@H]1O)[H])C
 xref: CAS:7323-86-6;   FooDB:FDB022098;   HMDB:HMDB0000530;   LIPID_MAPS_instance:LMST02010053;   PMID:14412941;   PMID:30450336


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Path 1
Term Annotations click to browse term
  CHEBI ontology 902
    role 861
      biological role 861
        molecular messenger 223
          hormone 188
            sex hormone 170
              estrogen 153
                estriol 0
                  6-ketoestriol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 902
    subatomic particle 887
      composite particle 887
        hadron 887
          baryon 887
            nucleon 887
              atomic nucleus 887
                atom 887
                  main group element atom 856
                    p-block element atom 853
                      carbon group element atom 829
                        carbon atom 828
                          organic molecular entity 828
                            organic molecule 742
                              organic cyclic compound 652
                                organic polycyclic compound 131
                                  steroid 96
                                    hydroxy steroid 65
                                      16-hydroxy steroid 2
                                        16alpha-hydroxy steroid 0
                                          estriol 0
                                            6-ketoestriol 0
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