ELE
Summary
| Name: | 2-keto 3 deoxy 6 phospho gluconate |
| Formula: | C6 H11 O9 P |
| Formal charge: | 0 |
| Formula weight: | 258.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (4~{S},5~{R})-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonooxy-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | OVPRPPOVAXRCED-WVZVXSGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CO[P](O)(O)=O)[C@@H](O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O |
