PIS
TRIHYDROGEN THIODIPHOSPHATE
| Created: | 2004-06-29 |
| Last modified: | 2021-03-01 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | -1 |
| Atom Count | 12 |
| Chiral Atom Count | 1 |
| Bond Count | 11 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
|---|---|
| Name | TRIHYDROGEN THIODIPHOSPHATE |
| Synonyms | THIOPYROPHOSPHATE |
| Systematic Name (OpenEye OEToolkits) | phosphonooxy-sulfido-phosphinic acid |
| Formula | H3 O6 P2 S |
| Molecular Weight | 193.033 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [S-]P(=O)(O)OP(=O)(O)O |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)O[P](O)([S-])=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | OP(=O)(O)OP(=O)(O)[S-] |
| Canonical SMILES | CACTVS | 3.341 | O[P](O)(=O)O[P@](O)([S-])=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | OP(=O)(O)O[P@](=O)(O)[S-] |
| InChI | InChI | 1.03 | InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1 |
| InChIKey | InChI | 1.03 | HWTUHTNZLQJJEV-UHFFFAOYSA-M |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| DrugBank ID | DB02423 |
|---|---|
| Name | Thiopyrophosphate |
| Groups | experimental |
| Synonyms |
|
| Categories |
|
| CAS number | 68488-87-9 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5289158 |
