Biological Magnetic Resonance Data Bank

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


Graphical representations:

D-Saccharate image

Molecular Formula: C6 H10 O8

Natural Isotopic Abundance Mass: 210.1388000000

Mono-Isotopic Molecular Masses:

  • C12N14: 210.037567298
  • C13N14: 216.057696325
  • C12N15: 210.037567298
  • C13N15: 216.057696325

InCHi String:

isomeric SMILES: [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O

canonical SMILES: C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O

(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid

IUPAC traditional
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyadipic acid

IUPAC cas: IUPAC openeye: IUPAC systematic
2,3,4,5-tetrahydroxyhexanedioic acid

PubChem Substance (SID):   85165047   668181   4076
PubChem Compound (CID):   33037
KEGG: Compound ID   C00818
CAS Registry IDs:   87-73-0
PDB Chemical Component   GKR
Miscellaneous Databases and IDs:   CHEBI 30612   EINECS 201-768-1

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.