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CHEBI:9347 - sulfoglycolithocholic acid

ChEBI IDCHEBI:9347
ChEBI Namesulfoglycolithocholic acid
Stars
DefinitionThe 3-O-sulfo derivative of glycolithocholic acid.
Last Modified24 January 2018
DownloadsMolfile
FormulaC26H43NO7S
Net Charge0
Average Mass513.697
Monoisotopic Mass513.27602
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCC(=O)O)[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C2
InChIInChI=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
InChIKeyFHXBAFXQVZOILS-OETIFKLTSA-N
ChEBI Ontology
Outgoing Relation(s)
sulfoglycolithocholic acid (CHEBI:9347) has functional parent glycolithocholic acid (CHEBI:37998)
sulfoglycolithocholic acid (CHEBI:9347) is a bile acid glycine conjugate (CHEBI:36255)
sulfoglycolithocholic acid (CHEBI:9347) is a steroid sulfate (CHEBI:16158)
sulfoglycolithocholic acid (CHEBI:9347) is conjugate acid of sulfoglycolithocholate anion (CHEBI:132924)
sulfoglycolithocholic acid (CHEBI:9347) is conjugate acid of sulfoglycolithocholate(2−) (CHEBI:60007)
Incoming Relation(s)
sulfoglycolithocholate anion (CHEBI:132924) is conjugate base of sulfoglycolithocholic acid (CHEBI:9347)
sulfoglycolithocholate(2−) (CHEBI:60007) is conjugate base of sulfoglycolithocholic acid (CHEBI:9347)
IUPAC Name 
N-[3α-(sulfonatooxy)-5β-cholan-24-oyl]glycine
Synonyms  Source
SulfoglycolithocholateKEGG COMPOUND
Glycolithocholate 3-sulfateKEGG COMPOUND
SulfolithocholylglycineKEGG COMPOUND
Glycolithocholic acid 3-sulfateChEBI
Glycolithocholic acid sulfateChemIDplus
glycolithocholate sulfateChEBI
Manual XrefsDatabases
C11301KEGG COMPOUND
LMST05030004LIPID MAPS
Registry NumbersSources
Beilstein:2405719Beilstein
CAS:15324-64-8KEGG COMPOUND
CAS:15324-64-8ChemIDplus