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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:sulfoglycolithocholic acid
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Accession:CHEBI:9347 term browser browse the term
Definition:The 3-O-sulfo derivative of glycolithocholic acid.
Synonyms:exact_synonym: N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycine
 related_synonym: Formula=C26H43NO7S;   Glycolithocholate 3-sulfate;   Glycolithocholic acid 3-sulfate;   Glycolithocholic acid sulfate;   InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1;   InChIKey=FHXBAFXQVZOILS-OETIFKLTSA-N;   SMILES=[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC(O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O;   Sulfoglycolithocholate;   Sulfolithocholylglycine;   glycolithocholate sulfate
 xref: Beilstein:2405719;   CAS:15324-64-8;   KEGG:C11301;   LIPID_MAPS_instance:LMST05030004
 xref_mesh: MESH:C018154
 cyclic_relationship: is_conjugate_acid_of CHEBI:132924;   is_conjugate_acid_of CHEBI:60007



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  CHEBI ontology 0
    role 0
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        catalyst 0
          sulfuric acid 0
            sulfuric acid derivative 0
              organic sulfate 0
                steroid sulfate 0
                  sulfoglycolithocholic acid 0
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  CHEBI ontology 0
    subatomic particle 0
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              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
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                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amino acid 0
                                          alpha-amino acid 0
                                            L-alpha-amino acid 0
                                              serine family amino acid 0
                                                glycine 0
                                                  glycine derivative 0
                                                    N-acylglycine 0
                                                      glycolithocholic acid 0
                                                        sulfoglycolithocholic acid 0
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