KPG
Summary
Name: | [(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate |
Formula: | C6 H13 O10 P |
Formal charge: | 0 |
Formula weight: | 276.135 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.0 | [(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.370 | OC(O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[P](O)(O)=O |
SMILES | CACTVS | 3.370 | OC(O)[CH](O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(C(=O)C(C(C(C(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/h3-6,8-12H,1H2,(H2,13,14,15)/t3-,4+,5+/m1/s1 |
InChIKey | InChI | 1.03 | GGBBRMAUDBKNLU-WISUUJSJSA-N |