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CHEBI:65996 - halistanol sulfate F
| Formula | C30H51O12S3.3Na |
| Net Charge | 0 |
| Average Mass | 768.897 |
| Monoisotopic Mass | 768.22357 |
| 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+] |
| InChI | InChI=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 |
| InChIKey | YMPFBLQGUNEWQH-FLZIPAQVSA-K |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 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 Numbers | Sources |
|---|---|
| Reaxys:12013883 | Reaxys |
| Citations |
|---|