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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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  CHEBI ontology 0
    role 0
      biological role 0
        molecular messenger 0
          hormone 0
            sex hormone 0
              estrogen 0
                estriol 0
                  6-ketoestriol 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
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      16-hydroxy steroid 0
                                        16alpha-hydroxy steroid 0
                                          estriol 0
                                            6-ketoestriol 0
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