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

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ChEBI Name glycochenodeoxycholate 7-sulfate(2−)
ChEBI ID CHEBI:58877
ChEBI ASCII Name glycochenodeoxycholate 7-sulfate(2-)
Definition A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of glycochenodeoxycholic acid 7-sulfate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H41NO8S
Net Charge -2
Average Mass 527.67100
Monoisotopic Mass 527.25639
InChI InChI=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
InChIKey GLYPHOJMMLQNJQ-GYPHWSFCSA-L
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@]1([H])[C@@H](C2)OS([O-])(=O)=O)[C@H](C)CCC(=O)NCC([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
glycochenodeoxycholate 7-sulfate UniProt
glycochenodeoxycholate sulfate ChEBI
Last Modified
11 October 2016