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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        biochemical role 19304
          metabolite 19285
            3beta,6beta-dihydroxy-5beta-cholan-24-oic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic molecule 19514
                              organic cyclic compound 19311
                                organic polycyclic compound 16393
                                  steroid 12793
                                    steroid fundamental parent 12407
                                      cholane 922
                                        cholanoid 922
                                          cholanic acids 921
                                            cholanic acid 921
                                              5beta-cholanic acid 921
                                                hydroxy-5beta-cholanic acid 921
                                                  dihydroxy-5beta-cholanic acid 768
                                                    3beta,6beta-dihydroxy-5beta-cholan-24-oic acid 0
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