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:glycodeoxycholic acid 3-sulfate
go back to main search page
Accession:CHEBI:133678 term browser browse the term
Definition:A bile acid glycine conjugate that is glycodeoxycholic acid in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.
Synonyms:exact_synonym: N-[12alpha-hydroxy-24-oxo-3alpha-(sulfooxy)-5beta-cholan-24-yl]glycine
 related_synonym: Formula=C26H43NO8S;   InChI=1S/C26H43NO8S/c1-15(4-9-23(29)27-14-24(30)31)19-7-8-20-18-6-5-16-12-17(35-36(32,33)34)10-11-25(16,2)21(18)13-22(28)26(19,20)3/h15-22,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1;   InChIKey=QJZCNFGUZPMYAX-BUXLTGKBSA-N;   N-[(3alpha,5beta,12alpha)-12-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine;   SMILES=C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)OS(O)(=O)=O)[H])[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)O)[H])C;   glycodeoxycholic acid sulfate;   sulfoglycodeoxycholic acid
 xref: Reaxys:6252858


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24191
    role 24084
      chemical role 22471
        catalyst 8522
          sulfuric acid 8484
            sulfuric acid derivative 8484
              organic sulfate 1993
                steroid sulfate 63
                  glycodeoxycholic acid 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24191
    subatomic particle 24144
      composite particle 24144
        hadron 24144
          baryon 24144
            nucleon 24144
              atomic nucleus 24144
                atom 24144
                  main group element atom 23976
                    p-block element atom 23976
                      carbon group element atom 23703
                        carbon atom 23660
                          organic molecular entity 23660
                            organic molecule 23528
                              organic cyclic compound 22619
                                organic polycyclic compound 17650
                                  steroid 13538
                                    steroid fundamental parent 13120
                                      cholane 955
                                        cholanoid 955
                                          cholanic acids 954
                                            cholanic acid 954
                                              5beta-cholanic acid 954
                                                hydroxy-5beta-cholanic acid 954
                                                  dihydroxy-5beta-cholanic acid 795
                                                    deoxycholic acid 228
                                                      glycodeoxycholic acid 96
                                                        glycodeoxycholic acid 3-sulfate 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.