F1P
Summary
| Name: | 1-O-phosphono-beta-D-fructopyranose |
| Synonyms: | BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE ((2R,3S,4R,5R)-TETRAHYDRO-2,3,4,5-TETRAHYDROXY-2H-PYRAN-2-YL)METHYL DIHYDROGEN PHOSPHATE; 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose |
| Formula: | C6 H13 O9 P |
| Formal charge: | 0 |
| Formula weight: | 260.136 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-O-phosphono-beta-D-fructopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate |
| PDB-CARE | 1.0 | b-D-Frup1PO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC1(O)OCC(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CO[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1CO[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(O1)(COP(=O)(O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | HXRNACQBNUPKDX-ARQDHWQXSA-N |
