F1X

1-O-phosphono-beta-D-fructofuranose

Created:	2010-08-04
Last modified:	2020-07-17

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2 entries where F1X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	4
Bond Count	29
Aromatic Bond Count	0

2D diagram of F1X

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Chemical Component Summary
Name	1-O-phosphono-beta-D-fructofuranose
Synonyms	beta D-Fructose 1-phosphate; 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₆ H₁₃ O₉ P
Molecular Weight	260.136
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OCC1(O)OC(C(O)C1O)CO)(O)O
SMILES	CACTVS	3.370	OC[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.0	C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O
Canonical SMILES	CACTVS	3.370	OC[C@H]1O[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKey	InChI	1.03	RHKKZBWRNHGJEZ-ARQDHWQXSA-N

Related Resource References

Resource Name	Reference
PubChem	10400369
ChEMBL	CHEMBL605021
ChEBI	CHEBI:139419

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.