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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:3,7,12-trioxo-5beta-cholanic acid
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Accession:CHEBI:31459 term browser browse the term
Definition:An oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton.
Synonyms:exact_synonym: 3,7,12-trioxo-5beta-cholan-24-oic acid
 related_synonym: 3,7,12-Triketo-5beta-cholanoic acid;   3,7,12-triketocholanic acid;   3,7,12-trioxocholanic acid;   Decholin;   Dehydrocholic acid;   Formula=C24H34O5;   InChI=1S/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1;   InChIKey=OHXPGWPVLFPUSM-KLRNGDHRSA-N;   SMILES=[H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C(=O)C2)[C@H](C)CCC(O)=O
 xref: AGR:IND44696467;   Beilstein:3226734;   CAS:81-23-2;   Drug_Central:794;   Gmelin:1109714;   KEGG:C13154;   KEGG:D01693;   LINCS:LSM-5960;   LIPID_MAPS_instance:LMST04010106
 xref_mesh: MESH:D003685
 xref: PMCID:PMC3716435;   PMID:17604970;   PMID:18507070;   PMID:18613358;   PMID:19102397;   PMID:19734023;   PMID:21181147;   PMID:22153852;   PMID:22237952;   PMID:22581067;   PMID:22806613;   PMID:22899496;   PMID:23130230;   PMID:23315150;   PMID:25641915;   PMID:26849336;   Reaxys:3226734
 cyclic_relationship: is_conjugate_acid_of CHEBI:137881


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3,7,12-trioxo-5beta-cholanic acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Dhrs11 dehydrogenase/reductase 11 increases reduction ISO DHRS11 protein results in increased reduction of Dehydrocholic Acid CTD PMID:30926317 NCBI chr10:69,698,214...69,708,294
Ensembl chr10:69,698,214...69,708,295 		JBrowse link
Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        pharmaceutical 19468
          drug 19468
            gastrointestinal drug 357
              3,7,12-trioxo-5beta-cholanic acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                organic polycyclic compound 17225
                                  steroid 14678
                                    steroid fundamental parent 14474
                                      cholane 1000
                                        cholanoid 1000
                                          cholanic acids 984
                                            cholanic acid 984
                                              5beta-cholanic acid 984
                                                oxo-5beta-cholanic acid 7
                                                  3,7,12-trioxo-5beta-cholanic acid 1
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