EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58877 - glycochenodeoxycholate 7-sulfate(2−)

Default Structure
ChEBI IDCHEBI:58877
ChEBI Nameglycochenodeoxycholate 7-sulfate(2−)
Stars
ASCII Nameglycochenodeoxycholate 7-sulfate(2-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of glycochenodeoxycholic acid 7-sulfate.
Last Modified11 October 2016
DownloadsMolfile
FormulaC26H41NO8S
Net Charge-2
Average Mass527.680
Monoisotopic Mass527.25639
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)/p-2/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChIKeyGLYPHOJMMLQNJQ-GYPHWSFCSA-L
ChEBI Ontology
Outgoing Relation(s)
glycochenodeoxycholate 7-sulfate(2−) (CHEBI:58877) is a glycochenodeoxycholic acid sulfate anion (CHEBI:133720)
glycochenodeoxycholate 7-sulfate(2−) (CHEBI:58877) is a steroid sulfate oxoanion (CHEBI:59696)
glycochenodeoxycholate 7-sulfate(2−) (CHEBI:58877) is conjugate base of glycochenodeoxycholic acid 7-sulfate (CHEBI:52031)
Incoming Relation(s)
glycochenodeoxycholic acid 7-sulfate (CHEBI:52031) is conjugate acid of glycochenodeoxycholate 7-sulfate(2−) (CHEBI:58877)
IUPAC Name 
N-[3α-hydroxy-24-oxo-7α-(sulfonatooxy)-5β-cholan-24-yl]glycinate
Synonym  Source
glycochenodeoxycholate sulfateChEBI
UniProt Name  Source
glycochenodeoxycholate 7-sulfateUniProt