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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 24513
    role 24424
      biological role 24391
        molecular messenger 19233
          hormone 18763
            sex hormone 18611
              estrogen 18414
                estriol 130
                  6-ketoestriol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24513
    subatomic particle 24471
      composite particle 24471
        hadron 24471
          baryon 24471
            nucleon 24471
              atomic nucleus 24471
                atom 24471
                  main group element atom 24327
                    p-block element atom 24327
                      carbon group element atom 24112
                        carbon atom 24074
                          organic molecular entity 24074
                            organic molecule 23955
                              organic cyclic compound 23156
                                organic polycyclic compound 17740
                                  steroid 13726
                                    hydroxy steroid 13247
                                      16-hydroxy steroid 167
                                        16alpha-hydroxy steroid 163
                                          estriol 130
                                            6-ketoestriol 0
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