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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:3beta,6beta-dihydroxy-5beta-cholan-24-oic acid
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Accession:CHEBI:72724 term browser browse the term
Definition:A dihydroxy-5beta-cholanic acid with hydroxy groups located at positions 3beta and 6beta.
Synonyms:related_synonym: Formula=C24H40O4;   InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1;   InChIKey=DGABKXLVXPYZII-UNSLZIRMSA-N;   SMILES=[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
 xref: LIPID_MAPS_instance:LMST04010027;   PMID:23078175;   Reaxys:3218393


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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      biological role 19866
        biochemical role 19571
          metabolite 19558
            3beta,6beta-dihydroxy-5beta-cholan-24-oic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic polycyclic compound 17303
                                  steroid 14730
                                    steroid fundamental parent 14526
                                      cholane 1009
                                        cholanoid 1009
                                          cholanic acids 993
                                            cholanic acid 993
                                              5beta-cholanic acid 993
                                                hydroxy-5beta-cholanic acid 993
                                                  dihydroxy-5beta-cholanic acid 843
                                                    3beta,6beta-dihydroxy-5beta-cholan-24-oic acid 0
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