PSJ

D-psicose

Created:	2009-09-09
Last modified:	2020-06-24

Find Related PDB Entry
11 entries where PSJ 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	24
Chiral Atom Count	3
Bond Count	23
Aromatic Bond Count	0

2D diagram of PSJ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	D-psicose
Systematic Name (OpenEye OEToolkits)	(3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(C(O)C(O)C(O)CO)CO
SMILES	CACTVS	3.352	OC[CH](O)[CH](O)[CH](O)C(=O)CO
SMILES	OpenEye OEToolkits	1.7.0	C(C(C(C(C(=O)CO)O)O)O)O
Canonical SMILES	CACTVS	3.352	OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.0	C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
InChIKey	InChI	1.03	BJHIKXHVCXFQLS-PUFIMZNGSA-N

Drug Info: DrugBank

DrugBank ID	DB15087
Name	Psicose
Groups	investigational
Description	Psicose is under investigation in clinical trial NCT02459834 (The Fructose and Allulose Catalytic Effects (FACE) Trial).
Synonyms	Psicose Allulose DL-Psicose Pseudofructose Erythrohexulose
Categories	Carbohydrates Hexoses Ketoses Monosaccharides
CAS number	23140-52-5

Related Resource References

Resource Name	Reference
PubChem	90008
ChEBI	CHEBI:27605

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.