KDG
Summary
Name: | 2-KETO-3-DEOXYGLUCONATE |
Formula: | C6 H10 O6 |
Formal charge: | 0 |
Formula weight: | 178.14 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-deoxy-D-erythro-hex-2-ulosonic acid |
OpenEye OEToolkits | 1.5.0 | (4S,5R)-4,5,6-trihydroxy-2-oxo-hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(C(=O)O)CC(O)C(O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O |
SMILES | CACTVS | 3.341 | OC[CH](O)[CH](O)CC(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(CO)O)O)C(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1 |
InChIKey | InChI | 1.03 | WPAMZTWLKIDIOP-WVZVXSGGSA-N |