KD0
Summary
Name: | 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid |
Formula: | C8 H15 O11 P |
Formal charge: | 0 |
Formula weight: | 318.172 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid |
OpenEye OEToolkits | 1.5.0 | (4R,5R,6R,7R)-4,5,6,7-tetrahydroxy-2-oxo-8-phosphonooxy-octanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(O)C(O)CC(=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)CC(=O)C(O)=O |
SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CC(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(C(COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | RTNBXJBOAIDPME-SHUUEZRQSA-N |