Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

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,12alpha-dihydroxy-5beta-cholan-24-oic acid
go back to main search page
Accession:CHEBI:88098 term browser browse the term
Definition:A dihydroxy-5beta-cholanic acid in which the two hydroxy groups are located at positions 3beta and 12alpha. The 3beta-hydroxy epimer of deoxycholic acid.
Synonyms:related_synonym: (3beta,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid;   3-Epideoxycholic acid;   3beta-deoxycholic acid;   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-OFYXWCICSA-N;   Isodeoxycholic acid;   SMILES=C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)O)[H])C
 xref: CAS:570-63-8;   HMDB:HMDB0000438;   LIPID_MAPS_instance:LMST04010042;   PMID:10733557;   PMID:14680217;   PMID:26192599;   Reaxys:3219883
 cyclic_relationship: is_conjugate_acid_of CHEBI:87733


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    chemical entity 19816
      molecular entity 19814
        polyatomic entity 19727
          heteroatomic molecular entity 19653
            hydroxides 19107
              organic hydroxy compound 18661
                hydroxy-5beta-cholanic acid 919
                  dihydroxy-5beta-cholanic acid 767
                    3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic polycyclic compound 16395
                                  steroid 12800
                                    steroid fundamental parent 12413
                                      cholane 920
                                        cholanoid 920
                                          cholanic acids 919
                                            cholanic acid 919
                                              5beta-cholanic acid 919
                                                hydroxy-5beta-cholanic acid 919
                                                  dihydroxy-5beta-cholanic acid 767
                                                    3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid 0
paths to the root

NHLBI Logo

RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.