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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 chr10:72,144,042...72,153,496
Ensembl chr10:72,144,042...72,153,375
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  CHEBI ontology 19773
    role 19719
      application 19403
        pharmaceutical 19303
          drug 19303
            gastrointestinal drug 327
              3,7,12-trioxo-5beta-cholanic acid 1
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  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic molecule 19502
                              organic cyclic compound 19329
                                organic polycyclic compound 16514
                                  steroid 13053
                                    steroid fundamental parent 12686
                                      cholane 940
                                        cholanoid 940
                                          cholanic acids 924
                                            cholanic acid 924
                                              5beta-cholanic acid 924
                                                oxo-5beta-cholanic acid 7
                                                  3,7,12-trioxo-5beta-cholanic acid 1
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