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CHEBI:747358 - etiocholanolone 3alpha-sulfate(1-)

Default Structure
ChEBI IDCHEBI:747358
ChEBI Nameetiocholanolone 3alpha-sulfate(1-)
Stars
DefinitionA steroid sulfate oxoanion that is the conjugate base of etiocholanolone 3alpha-sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified18 February 2026
Submitternhn
DownloadsMolfile
FormulaC19H29O5S
Net Charge-1
Average Mass369.503
Monoisotopic Mass369.17412
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](OS(=O)(=O)[O-])C2
InChIInChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/p-1/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKeyZMITXKRGXGRMKS-BNSUEQOYSA-M
ChEBI Ontology
Outgoing Relation(s)
etiocholanolone 3alpha-sulfate(1-) (CHEBI:747358) is a steroid sulfate oxoanion (CHEBI:59696)
UniProt Name  Source
etiocholanolone 3alpha-sulfateUniProt
Citations