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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:7-oxolithocholic acid
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Accession:CHEBI:82679 term browser browse the term
Definition:A bile acid that is lithocholic acid carrying an additional oxo substituent at position 7.
Synonyms:exact_synonym: (3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid
 related_synonym: 3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid;   3alpha-Hydroxy-7-oxo-5beta-cholanic acid;   3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid;   7-Ketolithocholic acid;   7-oxo-3alpha-hydroxycholan-24-oic acid;   Formula=C24H38O4;   InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1;   InChIKey=DXOCDBGWDZAYRQ-AURDAFMXSA-N;   Nutriacholic acid;   SMILES=C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
 xref: CAS:4651-67-6;   HMDB:HMDB0000467;   LIPID_MAPS_instance:LMST04010150
 xref_mesh: MESH:C023020
 xref: PMID:13525374;   PMID:21453287;   PMID:23933573;   PMID:2401860;   PMID:2811609;   PMID:2912152;   PMID:3480039;   PMID:3943698;   PMID:3943699;   PMID:4016150;   PMID:4063074;   PMID:4090568;   PMID:520764;   PMID:6631218;   PMID:7084613;   PMID:7380227;   PMID:7435569;   Reaxys:3222783
 cyclic_relationship: is_conjugate_acid_of CHEBI:78605

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Path 1
Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      application 2
        pharmaceutical 2
          drug 2
            protective agent 1
              geroprotector 1
                lithocholic acid 0
                  7-oxolithocholic acid 0
                    7-oxotaurolithocholic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                organic polycyclic compound 0
                                  steroid 0
                                    steroid fundamental parent 0
                                      cholane 0
                                        cholanoid 0
                                          cholanic acids 0
                                            cholanic acid 0
                                              5beta-cholanic acid 0
                                                hydroxy-5beta-cholanic acid 0
                                                  bile acid 0
                                                    lithocholic acid 0
                                                      7-oxolithocholic acid 0
                                                        7-oxotaurolithocholic acid 0
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