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CHEBI:72478 - halistanol sulfate G(3−)

ChEBI IDCHEBI:72478
ChEBI Namehalistanol sulfate G(3−)
Stars
ASCII Namehalistanol sulfate G(3-)
DefinitionA steroid sulfate oxoanion that is the conjugate base of halistanol sulfonic acid G.
Last Modified18 February 2013
Submitternamrata
DownloadsMolfile
FormulaC28H47O12S3
Net Charge-3
Average Mass671.873
Monoisotopic Mass671.22461
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)CC[C@H](C)C(C)C
InChIInChI=1S/C28H50O12S3/c1-16(2)17(3)7-8-18(4)20-9-10-21-19-13-24(38-41(29,30)31)23-14-25(39-42(32,33)34)26(40-43(35,36)37)15-28(23,6)22(19)11-12-27(20,21)5/h16-26H,7-15H2,1-6H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-3/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26-,27+,28+/m0/s1
InChIKeyWBHAMVHLRVKJRH-VZAWWNCJSA-K
ChEBI Ontology
Outgoing Relation(s)
halistanol sulfate G(3−) (CHEBI:72478) is a steroid sulfate oxoanion (CHEBI:59696)
halistanol sulfate G(3−) (CHEBI:72478) is conjugate base of halistanol sulfonic acid G (CHEBI:72479)
Incoming Relation(s)
halistanol sulfate G (CHEBI:65997) has part halistanol sulfate G(3−) (CHEBI:72478)
halistanol sulfonic acid G (CHEBI:72479) is conjugate acid of halistanol sulfate G(3−) (CHEBI:72478)
IUPAC Name 
(2β,3α,5α,6α)-ergostane-2,3,6-triyl trisulfate