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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:deoxycholic acid
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Accession:CHEBI:28834 term browser browse the term
Definition:A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.
Synonyms:exact_synonym: 3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
 related_synonym: (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID;   (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid;   3alpha,12alpha-Dihydroxy-5beta-cholanic acid;   7alpha-deoxycholic acid;   Desoxycholsaeure;   Formula=C24H40O4;   InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1;   InChIKey=KXGVEGMKQFWNSR-LLQZFEROSA-N;   SMILES=[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2;   desoxycholic acid
 alt_id: CHEBI:1687;   CHEBI:23616;   CHEBI:42317
 xref: Beilstein:3219882;   CAS:83-44-3;   DrugBank:DB03619;   Drug_Central:4988;   Gmelin:670078;   KEGG:C04483;   KNApSAcK:C00030117;   LINCS:LSM-5529;   LIPID_MAPS_instance:LMST04010040
 xref_mesh: MESH:D003840
 xref: PDBeChem:DXC
 cyclic_relationship: is_conjugate_acid_of CHEBI:23614


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deoxycholic acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G ACHE acetylcholinesterase increases activity EXP Deoxycholic Acid results in increased activity of ACHE protein CTD PMID:3697337 NCBI chr 3:8,732,451...8,738,274
Ensembl chr 3:8,732,324...8,739,149
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 880
    chemical entity 880
      molecular entity 878
        polyatomic entity 843
          heteroatomic molecular entity 799
            hydroxides 684
              organic hydroxy compound 595
                hydroxy-5beta-cholanic acid 4
                  dihydroxy-5beta-cholanic acid 2
                    deoxycholic acid 1
                      3alpha,12alpha-dihydroxy-5beta-chol-6-en-24-oic acid 0
                      deoxycholic acid 24-O-(beta-D-glucuronide) 0
                      deoxycholic acid 3-glucuronide 0
                      deoxycholoyl-CoA 0
                      glycodeoxycholic acid + 0
                      taurodeoxycholic acid + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 827
                        carbon atom 826
                          organic molecular entity 826
                            organic molecule 738
                              organic cyclic compound 647
                                organic polycyclic compound 130
                                  steroid 97
                                    steroid fundamental parent 75
                                      cholane 4
                                        cholanoid 4
                                          cholanic acids 4
                                            cholanic acid 4
                                              5beta-cholanic acid 4
                                                hydroxy-5beta-cholanic acid 4
                                                  dihydroxy-5beta-cholanic acid 2
                                                    deoxycholic acid 1
                                                      3alpha,12alpha-dihydroxy-5beta-chol-6-en-24-oic acid 0
                                                      deoxycholic acid 24-O-(beta-D-glucuronide) 0
                                                      deoxycholic acid 3-glucuronide 0
                                                      deoxycholoyl-CoA 0
                                                      glycodeoxycholic acid + 0
                                                      taurodeoxycholic acid + 0
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