EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72476 - halistanol sulfate F(3−)

ChEBI IDCHEBI:72476
ChEBI Namehalistanol sulfate F(3−)
Stars
ASCII Namehalistanol sulfate F(3-)
DefinitionA steroid sulfate oxoanion that is the conjugate base of halistanol sulfonic acid F.
Last Modified18 February 2013
Submitternamrata
DownloadsMolfile
FormulaC30H51O12S3
Net Charge-3
Average Mass699.927
Monoisotopic Mass699.25591
SMILES[H][C@@]12C[C@H](OS(=O)(=O)[O-])[C@@]3([H])C[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(C)C(C)(C)CC
InChIInChI=1S/C30H54O12S3/c1-8-28(4,5)19(3)10-9-18(2)21-11-12-22-20-15-25(40-43(31,32)33)24-16-26(41-44(34,35)36)27(42-45(37,38)39)17-30(24,7)23(20)13-14-29(21,22)6/h18-27H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-3/t18-,19?,20+,21-,22+,23+,24-,25+,26+,27+,29-,30-/m1/s1
InChIKeyXUMJIMYIZJLITA-TZVJEUQOSA-K
ChEBI Ontology
Outgoing Relation(s)
halistanol sulfate F(3−) (CHEBI:72476) is a steroid sulfate oxoanion (CHEBI:59696)
halistanol sulfate F(3−) (CHEBI:72476) is conjugate base of halistanol sulfonic acid F (CHEBI:72477)
Incoming Relation(s)
halistanol sulfate F (CHEBI:65996) has part halistanol sulfate F(3−) (CHEBI:72476)
halistanol sulfonic acid F (CHEBI:72477) is conjugate acid of halistanol sulfate F(3−) (CHEBI:72476)