AFP

1,6-di-O-phosphono-alpha-D-fructofuranose

Created:	1999-07-08
Last modified:	2020-07-17

Find Related PDB Entry
2 entries where AFP is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	0

2D diagram of AFP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,6-di-O-phosphono-alpha-D-fructofuranose
Synonyms	ALPHA FRUCTOSE 1,6-DIPHOSPHATE; 1,6-di-O-phosphono-alpha-D-fructose; 1,6-di-O-phosphono-D-fructose; 1,6-di-O-phosphono-fructose
Systematic Name (OpenEye OEToolkits)	[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₆ H₁₄ O₁₂ P₂
Molecular Weight	340.116
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](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
Canonical SMILES	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
Canonical SMILES	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
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-ZXXMMSQZSA-N

Related Resource References

Resource Name	Reference
PubChem	445557
ChEMBL	CHEMBL1089962
ChEBI	CHEBI:40595

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.