Bioactive Compound Details
| BioID | bio2260 |
|---|---|
| Name | PHYTATE SODIUM |
| ChEMBL ID | CHEMBL3989600 |
| Molecular Formula | C6H9Na9O24P6 |
| Molecular Weight | 857.87 |
| Molecular Weight (Monoisotopic) | 659.8614 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | FYTATE SODIUM|PHYTATE SODIUM|PHYTIC ACID SODIUM SALT|SODIUM FYTATE|SODIUM FYTATE (9:1)|SODIUM PHYTATE|SQ 9343|SQ-9343 |
| Smiles | O=P([O-])([O-])O[C@H]1[C@H](OP(=O)([O-])O)[C@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])O)[C@@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)([O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C6H18O24P6.9Na/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;;/q;9*+1/p-9/t1-,2-,3-,4+,5-,6-;;;;;;;;; |
| Inchi Key | FENRSEGZMITUEF-ATTCVCFYSA-E |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.35 |
| Records Key | ['PHYTATE SODIUM'] |
| Records Name | ['PHYTATE SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
