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CHEBI:72477 - halistanol sulfonic acid F

ChEBI IDCHEBI:72477
ChEBI Namehalistanol sulfonic acid F
Stars
DefinitionA steroid sulfate with anti-HIV activity.
Last Modified18 February 2013
Submitternamrata
DownloadsMolfile
FormulaC30H54O12S3
Net Charge0
Average Mass702.951
Monoisotopic Mass702.27774
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)/t18-,19?,20+,21-,22+,23+,24-,25+,26+,27+,29-,30-/m1/s1
InChIKeyXUMJIMYIZJLITA-TZVJEUQOSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HIV-2 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-2, the less infective and less virulent of the two types of HIV virus.
anti-HIV-1 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
ChEBI Ontology
Outgoing Relation(s)
halistanol sulfonic acid F (CHEBI:72477) has role anti-HIV-1 agent (CHEBI:64947)
halistanol sulfonic acid F (CHEBI:72477) has role anti-HIV-2 agent (CHEBI:64949)
halistanol sulfonic acid F (CHEBI:72477) has role metabolite (CHEBI:25212)
halistanol sulfonic acid F (CHEBI:72477) is a steroid sulfate (CHEBI:16158)
halistanol sulfonic acid F (CHEBI:72477) is conjugate acid of halistanol sulfate F(3−) (CHEBI:72476)
Incoming Relation(s)
halistanol sulfate F(3−) (CHEBI:72476) is conjugate base of halistanol sulfonic acid F (CHEBI:72477)