FBP
Summary
Name: | 1,6-di-O-phosphono-beta-D-fructofuranose |
Synonyms: | BETA-FRUCTOSE-1,6-DIPHOSPHATE FRUCTOSE-1,6-BISPHOSPHATE; 1,6-di-O-phosphono-beta-D-fructose; 1,6-di-O-phosphono-D-fructose; 1,6-di-O-phosphono-fructose |
Formula: | C6 H14 O12 P2 |
Formal charge: | 0 |
Formula weight: | 340.116 Da |
Component type: | D-saccharide, beta linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1,6-di-O-phosphono-beta-D-fructofuranose |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate |
PDB-CARE | 1.0 | b-D-Fruf1PO36PO3 |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O |
SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1 |
InChIKey | InChI | 1.03 | RNBGYGVWRKECFJ-ARQDHWQXSA-N |