MRU
Summary
| Name: | 5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RIBULOSE |
| Formula: | C6 H13 O7 P S |
| Formal charge: | 0 |
| Formula weight: | 260.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-S-methyl-1-O-phosphono-5-thio-D-ribulose |
| OpenEye OEToolkits | 1.5.0 | [(3R,4S)-3,4-dihydroxy-5-methylsulfanyl-2-oxo-pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(O)C(O)CSC)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CSC[C@@H](O)[C@@H](O)C(=O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CSC[CH](O)[CH](O)C(=O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCC(C(C(=O)COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | CNSJRYUMVMWNMC-RITPCOANSA-N |
