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ONTOLOGY REPORT - ANNOTATIONS


Term:sulfoglycochenodeoxycholic acid
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Accession:CHEBI:72733 term browser browse the term
Definition:A steroid sulfate that is the 3-O-sulfo derivative of glycochenodeoxycholic acid.
Synonyms:exact_synonym: N-[(3alpha,5beta,7alpha)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine
 related_synonym: 3-sulfo-GCDCA;   Formula=C26H43NO8S;   GCDCS;   Glycochenodeoxycholate-3-sulfate;   Glycochenodeoxycholate-3-sulphate;   InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1;   InChIKey=DKXXSIJHWWVNMO-GYPHWSFCSA-N;   SMILES=[H][C@@]12C[C@@H](CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O)OS(O)(=O)=O
 xref: CAS:67030-54-0;   HMDB:HMDB0002497;   PMID:22882828


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Term Annotations click to browse term
  CHEBI ontology 19779
    role 19727
      biological role 19726
        biochemical role 19220
          metabolite 19196
            sulfoglycochenodeoxycholic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    p-block element atom 19664
                      carbon group element atom 19559
                        carbon atom 19548
                          organic molecular entity 19548
                            organic molecule 19472
                              organic cyclic compound 19236
                                organic polycyclic compound 16398
                                  steroid 12802
                                    steroid fundamental parent 12418
                                      cholane 874
                                        cholanoid 874
                                          cholanic acids 873
                                            cholanic acid 873
                                              5beta-cholanic acid 873
                                                hydroxy-5beta-cholanic acid 873
                                                  dihydroxy-5beta-cholanic acid 716
                                                    chenodeoxycholic acid 392
                                                      glycochenodeoxycholic acid 28
                                                        sulfoglycochenodeoxycholic acid 0
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