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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:3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid
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Accession:CHEBI:85911 term browser browse the term
Definition:A steroid acid that is 23,24-bisnor-chol-1,4-dien-22-oic acid bearing an additional oxo substituent at position 3.
Synonyms:related_synonym: 20-Carboxy-1,4-pregnadien-3-one;   3-keto-23,24-bisnorchola-1,4-dien-22-oic acid;   3-keto-23,24-dinorchola-1,4-dien-22-oic acid;   3-oxo-23,24-dinorchola-1,4-dien-22-oic acid;   Formula=C22H30O3;   InChI=1S/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1;   InChIKey=OZESBBVMFLIODA-WAMTXRNCSA-N;   SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
 xref: CAS:20248-18-4;   MetaCyc:CPD-13738;   PMID:21987574;   Reaxys:4526990
 cyclic_relationship: is_conjugate_acid_of CHEBI:85551



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      group 19791
        organic group 18947
          3-oxo-Delta(4)-steroid group 9163
            3-oxo-Delta(4) steroid 9163
              3-oxo-Delta(1),Delta(4)-steroid 5216
                3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      ketone 17180
                                        oxo steroid 10536
                                          3-oxo steroid 9926
                                            3-oxo-Delta(1) steroid 5216
                                              3-oxo-Delta(1),Delta(4)-steroid 5216
                                                3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid 0
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