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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:hyodeoxycholic acid 6-O-(beta-D-glucuronide)
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Accession:CHEBI:137822 term browser browse the term
Definition:A steroid glucosiduronic acid that is hyodeoxycholic acid having a single beta-D-glucuronic acid residue attached at position 6.
Synonyms:exact_synonym: 6alpha-(beta-D-glucopyranuronosyloxy)-3alpha-hydroxy-5beta-cholan-24-oic acid
 related_synonym: (3alpha,5beta,6alpha)-6-(beta-D-glucopyranuronosyloxy)-3-hydroxycholan-24-oic acid;   3alpha,6alpha-dihydroxy-5beta-cholan-24-oic acid 6-D-glucuronide;   6alpha-glucuronosylhyodeoxycholate;   Formula=C30H48O10;   HDCA-6G;   Hdc-6-OG;   Hyodeoxycholate-6-O-glucuronide;   InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1;   InChIKey=MAXKTGFGXCXJFY-HHUAQUJWSA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@@]2(C[C@@H](C1)O)[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])(CC[C@@]4([C@@H](CCC(=O)O)C)[H])[H])C)[H])C;   hyodeoxycholic acid 6-(beta-D-glucuronide);   hyodeoxycholic acid 6-beta-glucuronide;   hyodeoxycholic acid 6-glucuronide
 alt_id: CHEBI:2241
 xref: CAS:76060-17-8;   KEGG:C11246;   LIPID_MAPS_instance:LMST05010016;   PMID:16749861;   PMID:23756265;   PMID:23756370;   PMID:3480926;   Reaxys:7061223
 cyclic_relationship: is_conjugate_acid_of CHEBI:136905

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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    chemical entity 19875
      atom 19873
        nonmetal atom 19751
          carbon atom 19657
            organic molecular entity 19657
              lipid 17235
                steroid 12826
                  steroid glucosiduronic acid 25
                    hyodeoxycholic acid 6-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic molecule 19586
                              organic cyclic compound 19395
                                organic polycyclic compound 16425
                                  steroid 12826
                                    steroid fundamental parent 12440
                                      cholane 938
                                        cholanoid 938
                                          cholanic acids 922
                                            cholanic acid 922
                                              5beta-cholanic acid 922
                                                hydroxy-5beta-cholanic acid 922
                                                  trihydroxy-5beta-cholanic acid 254
                                                    cholic acid 253
                                                      hyodeoxycholic acid 5
                                                        hyodeoxycholic acid 6-O-(beta-D-glucuronide) 0
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