CHEBI:72477 - halistanol sulfonic acid F

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ChEBI Name halistanol sulfonic acid F
ChEBI ID CHEBI:72477
Definition A steroid sulfate with anti-HIV activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H54O12S3
Net Charge 0
Average Mass 702.93800
Monoisotopic Mass 702.27774
InChI InChI=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
InChIKey XUMJIMYIZJLITA-TZVJEUQOSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](OS(O)(=O)=O)[C@@]4([H])C[C@H](OS(O)(=O)=O)[C@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(C)C(C)(C)CC
Roles Classification
Biological Role(s): 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.
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 halistanol sulfate F(3−) (CHEBI:72476) is conjugate base of halistanol sulfonic acid F (CHEBI:72477)
Last Modified
18 February 2013