Bioactive Compound Details
| BioID | bio198266 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1256700 |
| Molecular Formula | C11H16N5Na4O13P3S |
| Molecular Weight | 643.22 |
| Molecular Weight (Monoisotopic) | 554.9991 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Methylthioadenosine Triphosphate Tetra Sodium |
| Smiles | CSc1nc(N)c2c(n1)N([C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O)CN2.[Na+].[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C11H20N5O13P3S.4Na/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h4,6-7,10,13,17-18H,2-3H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t4-,6+,7+,10-;;;;/m1..../s1 |
| Inchi Key | VUJHKJKVBJKEIV-CSWYOPAVSA-J |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 0.84 |
| Records Key | ['NCGC00093645-01'] |
| Records Name | ['2-methylthioadenosine triphosphate tetrasodium'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
