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-Saccharate

Graphical representations:

D_saccharate

View large 3D structure

Molecular Formula: C6H10O8

Natural Isotopic Abundance Mass: 210.1388000000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1/f/h11,13H

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

PubChem Compound (CID): 33037
KEGG Compound ID: C00818
CAS Registry number: 87-73-0
ChEBI: 30612
EINECS: 201-768-1

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)