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CHEBI:233494 - deoxycholic acid 12-sulfate

ChEBI IDCHEBI:233494
ChEBI Namedeoxycholic acid 12-sulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC24H40O7S
Net Charge0
Average Mass472.644
Monoisotopic Mass472.24947
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](OS(=O)(=O)O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H40O7S/c1-14(4-9-22(26)27)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(24(18,19)3)31-32(28,29)30/h14-21,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyGMRIQHBJNVMHJA-LLQZFEROSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
deoxycholic acid 12-sulfate (CHEBI:233494) is a bile acid (CHEBI:3098)
deoxycholic acid 12-sulfate (CHEBI:233494) is a steroid sulfate (CHEBI:16158)