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ONTOLOGY REPORT - ANNOTATIONS


Term:3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid
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Accession:CHEBI:138401 term browser browse the term
Definition:An oxo-5beta-cholanic acid that is ursodeoxycholic acid carrying an additional oxo substituent at position 12.
Synonyms:related_synonym: 12-keto-UDCA;   12-ketoursodeoxycholic acid;   12-oxo-UDCA;   12-oxoursodeoxycholic acid;   Formula=C24H38O5;   InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,22+,23+,24-/m1/s1;   InChIKey=MIHNUBCEFJLAGN-RAEYQWLJSA-N;   SMILES=C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(O)=O)C)[H])C)=O)[H])C
 xref: CAS:81873-91-8 "ChemIDplus";   PMID:22806613 "Europe PMC";   PMID:22899496 "Europe PMC";   PMID:25641915 "Europe PMC";   Reaxys:5307739 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:137886


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Term Annotations click to browse term
  CHEBI ontology 19716
    chemical entity 19714
      molecular entity 19711
        polyatomic entity 19627
          heteroatomic molecular entity 19535
            hydroxides 19013
              organic hydroxy compound 18571
                hydroxy steroid 12362
                  7-hydroxy steroid 414
                    7beta-hydroxy steroid 13
                      3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic molecule 19402
                              organic cyclic compound 19158
                                organic polycyclic compound 16027
                                  steroid 12770
                                    steroid fundamental parent 12394
                                      cholane 867
                                        cholanoid 867
                                          cholanic acids 867
                                            cholanic acid 867
                                              5beta-cholanic acid 867
                                                hydroxy-5beta-cholanic acid 867
                                                  dihydroxy-5beta-cholanic acid 715
                                                    ursodeoxycholic acid 379
                                                      3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid 0
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