| CID | 41 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 270 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 3 |
| pubchem_cactvs_rotatable_bond | 6 |
| pubchem_cactvs_subskeys | AAADccBgOAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACCAACASkwAKCAAAAAxiIQIBSAIIAAAAgIBAAAAFAAEgAAAAgAAAAQAAEgAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | (2-hydroxy-5-methylsulfanyl-3-oxo-pent-1-enyl) dihydrogen phosphate |
| pubchem_iupac_cas_name | [2-hydroxy-5-(methylthio)-3-oxopent-1-enyl] dihydrogen phosphate |
| pubchem_iupac_systematic_name | (2-hydroxy-5-methylsulfanyl-3-oxo-pent-1-enyl) dihydrogen phosphate |
| pubchem_iupac_traditional_name | [2-hydroxy-3-keto-5-(methylthio)pent-1-enyl] dihydrogen phosphate |
| pubchem_nist_inchi | InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 242.001395 |
| pubchem_molecular_formula | C6H11O6PS |
| pubchem_molecular_weight | 242.186701 |
| pubchem_openeye_can_smiles | CSCCC(=O)C(=COP(=O)(O)O)O |
| pubchem_openeye_iso_smiles | CSCCC(=O)C(=COP(=O)(O)O)O |
| pubchem_cactvs_tpsa | 104 |
| pubchem_monoisotopic_weight | 242.001395 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 14 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 1 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 4 |
| pubchem_bondannotations | 12 13 1 |
