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CHEBI:65996 - halistanol sulfate F

Default Structure
ChEBI IDCHEBI:65996
ChEBI Namehalistanol sulfate F
Stars
DefinitionAn organic sodium salt that is the trisodium salt of halistanol sulfonic acid F. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity.
Last Modified18 February 2013
DownloadsMolfile
FormulaC30H51O12S3.3Na
Net Charge0
Average Mass768.897
Monoisotopic Mass768.22357
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.[Na+].[Na+].[Na+]
InChIInChI=1S/C30H54O12S3.3Na/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);;;/q;3*+1/p-3/t18-,19?,20+,21-,22+,23+,24-,25+,26+,27+,29-,30-;;;/m1.../s1
InChIKeyYMPFBLQGUNEWQH-FLZIPAQVSA-K
Species of MetaboliteComponentSourceComments
Pseudaxinyssa digitata (WORMS:132674) - PubMed (8158159)
Roles Classification
Biological Roles:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
halistanol sulfate F (CHEBI:65996) has part halistanol sulfate F(3−) (CHEBI:72476)
halistanol sulfate F (CHEBI:65996) has role anti-HIV-1 agent (CHEBI:64947)
halistanol sulfate F (CHEBI:65996) has role anti-HIV-2 agent (CHEBI:64949)
halistanol sulfate F (CHEBI:65996) has role metabolite (CHEBI:25212)
halistanol sulfate F (CHEBI:65996) is a organic sodium salt (CHEBI:38700)
Registry NumbersSources
Reaxys:12013883Reaxys
Citations