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CHEBI:172395 - chenodeoxycholate 7-sulfate(2−)

ChEBI IDCHEBI:172395
ChEBI Namechenodeoxycholate 7-sulfate(2−)
Stars
ASCII Namechenodeoxycholate 7-sulfate(2-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of chenodeoxycholic acid 7-sulfate; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC24H38O7S
Net Charge-2
Average Mass470.628
Monoisotopic Mass470.23492
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)[O-])[C@]1([H])[C@H](OS(=O)(=O)[O-])C2
InChIInChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)31-32(28,29)30/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/p-2/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKeyDPVCTIYTPXYDMQ-BSWAIDMHSA-L
ChEBI Ontology
Outgoing Relation(s)
chenodeoxycholate 7-sulfate(2−) (CHEBI:172395) has functional parent chenodeoxycholate (CHEBI:36234)
chenodeoxycholate 7-sulfate(2−) (CHEBI:172395) is a steroid sulfate oxoanion (CHEBI:59696)
UniProt Name  Source
chenodeoxycholate 7-sulfateUniProt
Citations