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CHEBI:65997 - halistanol sulfate G

ChEBI IDCHEBI:65997
ChEBI Namehalistanol sulfate G
Stars
DefinitionAn organic sodium salt that is the trisodium salt of halistanol sulfonic acid G. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity.
Last Modified18 February 2013
DownloadsMolfile
FormulaC28H47O12S3.3Na
Net Charge0
Average Mass740.843
Monoisotopic Mass740.19227
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.[Na+].[Na+].[Na+]
InChIInChI=1S/C28H50O12S3.3Na/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);;;/q;3*+1/p-3/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26-,27+,28+;;;/m0.../s1
InChIKeyLGOWVXRSYXXXNZ-GTQHFPFQSA-K
Species of MetaboliteComponentSourceComments
Pseudaxinyssa digitata (WORMS:132674) - PubMed (8158159)
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 sulfate G (CHEBI:65997) has part halistanol sulfate G(3−) (CHEBI:72478)
halistanol sulfate G (CHEBI:65997) has role anti-HIV-1 agent (CHEBI:64947)
halistanol sulfate G (CHEBI:65997) has role anti-HIV-2 agent (CHEBI:64949)
halistanol sulfate G (CHEBI:65997) has role metabolite (CHEBI:25212)
halistanol sulfate G (CHEBI:65997) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
trisodium (2β,3α,5α,6α)-ergostane-2,3,6-triyl trisulfate
Registry NumbersSources
Reaxys:12013879Reaxys
Citations