BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

D-Psicose

Graphical representations:

D-Psicose image

Molecular Formula: C6 H12 O6

Natural Isotopic Abundance Mass: 180.1558800000

Mono-Isotopic Molecular Masses:

  • C12N14: 180.063388118
  • C13N14: 186.083517145
  • C12N15: 180.063388118
  • C13N15: 186.083517145

InCHi String:

isomeric SMILES: C1[C@H]([C@H]([C@H](C(O1)(CO)O)O)O)O

canonical SMILES: C1C(C(C(C(O1)(CO)O)O)O)O

IUPAC: IUPAC systematic
(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

IUPAC traditional
(3R,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol

IUPAC cas: IUPAC openeye
(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol

PubChem Substance (SID):   85164872   8700
PubChem Compound (CID):   441036
KEGG: Compound ID   C06468
CAS Registry IDs:   551-68-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 27605

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.