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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 19800
    role 19751
      biological role 19751
        molecular messenger 18301
          hormone 18083
            sex hormone 17979
              estrogen 17905
                estriol 126
                  6-ketoestriol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic polycyclic compound 16570
                                  steroid 13347
                                    hydroxy steroid 12976
                                      16-hydroxy steroid 163
                                        16alpha-hydroxy steroid 159
                                          estriol 126
                                            6-ketoestriol 0
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