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CHEBI:52031 - glycochenodeoxycholic acid 7-sulfate

Default Structure
ChEBI IDCHEBI:52031
ChEBI Nameglycochenodeoxycholic acid 7-sulfate
Stars
Last Modified8 July 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H43NO8S
Net Charge0
Average Mass529.696
Monoisotopic Mass529.27094
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCC(=O)O)[C@]1([H])[C@H](OS(=O)(=O)O)C2
InChIInChI=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(28)12-16(25)13-21(24)35-36(32,33)34/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
InChIKeyGLYPHOJMMLQNJQ-GYPHWSFCSA-N
ChEBI Ontology
Outgoing Relation(s)
glycochenodeoxycholic acid 7-sulfate (CHEBI:52031) has functional parent cholic acid (CHEBI:16359)
glycochenodeoxycholic acid 7-sulfate (CHEBI:52031) is a sulfooxy steroid (CHEBI:52035)
glycochenodeoxycholic acid 7-sulfate (CHEBI:52031) is conjugate acid of glycochenodeoxycholate 7-sulfate(2−) (CHEBI:58877)
glycochenodeoxycholic acid 7-sulfate (CHEBI:52031) is conjugate acid of glycochenodeoxycholic acid sulfate anion (CHEBI:133720)
Incoming Relation(s)
glycochenodeoxycholate 7-sulfate(2−) (CHEBI:58877) is conjugate base of glycochenodeoxycholic acid 7-sulfate (CHEBI:52031)
glycochenodeoxycholic acid sulfate anion (CHEBI:133720) is conjugate base of glycochenodeoxycholic acid 7-sulfate (CHEBI:52031)
IUPAC Name 
N-[3α-hydroxy-24-oxo-7α-(sulfooxy)-5β-cholan-24-yl]glycine
Synonym  Source
N-(3alpha-hydroxy-7alpha-sulfooxy-5beta-cholan-24-oyl)glycineSUBMITTER
Manual XrefsDatabases
C15559KEGG COMPOUND