CHEBI:9347 - sulfoglycolithocholic acid

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ChEBI Name sulfoglycolithocholic acid
ChEBI ID CHEBI:9347
Definition The 3-O-sulfo derivative of glycolithocholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H43NO7S
Net Charge 0
Average Mass 513.68700
Monoisotopic Mass 513.27602
InChI 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
ChEBI Ontology
Outgoing 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 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 Sources
Glycolithocholate 3-sulfate KEGG COMPOUND
glycolithocholate sulfate ChEBI
Glycolithocholic acid 3-sulfate ChEBI
Glycolithocholic acid sulfate ChemIDplus
Sulfoglycolithocholate KEGG COMPOUND
Sulfolithocholylglycine KEGG COMPOUND
Manual Xrefs Databases
C11301 KEGG COMPOUND
LMST05030004 LIPID MAPS
View more database links
Registry Numbers Types Sources
15324-64-8 CAS Registry Number ChemIDplus
2405719 Beilstein Registry Number Beilstein
Last Modified
24 January 2018