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CHEBI:172398 - α-muricholate 7-sulfate(2−)

ChEBI IDCHEBI:172398
ChEBI Nameα-muricholate 7-sulfate(2−)
Stars
ASCII Namealpha-muricholate 7-sulfate(2-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of α-muricholic acid 7-sulfate; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC24H38O8S
Net Charge-2
Average Mass486.627
Monoisotopic Mass486.22984
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@]21[H]
InChIInChI=1S/C24H40O8S/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)32-33(29,30)31/h13-18,20-22,25,28H,4-12H2,1-3H3,(H,26,27)(H,29,30,31)/p-2/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1
InChIKeyURTZEGBTMAIZEU-GDYCBZMLSA-L
ChEBI Ontology
Outgoing Relation(s)
α-muricholate 7-sulfate(2−) (CHEBI:172398) has functional parent α-muricholate (CHEBI:134116)
α-muricholate 7-sulfate(2−) (CHEBI:172398) is a steroid sulfate oxoanion (CHEBI:59696)
UniProt Name  Source
α-muricholate 7-sulfateUniProt
Citations