6PG
Summary
| Name: | 6-PHOSPHOGLUCONIC ACID |
| Formula: | C6 H13 O10 P |
| Formal charge: | 0 |
| Formula weight: | 276.135 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-O-phosphono-D-gluconic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 |
| InChIKey | InChI | 1.03 | BIRSGZKFKXLSJQ-SQOUGZDYSA-N |
