FDP
Summary
Name: | 2,6-di-O-phosphono-beta-D-fructofuranose |
Synonyms: | FRUCTOSE-2,6-DIPHOSPHATE 2,6-di-O-phosphono-beta-D-fructose; 2,6-di-O-phosphono-D-fructose; 2,6-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 | 2,6-di-O-phosphono-beta-D-fructofuranose |
OpenEye OEToolkits | 1.5.0 | [(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate |
PDB-CARE | 1.0 | b-D-Fruf2PO36PO3 |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O)O[P](O)(O)=O |
SMILES | CACTVS | 3.341 | OC[C]1(O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1 |
InChIKey | InChI | 1.03 | YXWOAJXNVLXPMU-ZXXMMSQZSA-N |