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-Glucono-1,5-lactone

Graphical representations:

D_glucono_1_5_lactone

View large 3D structure

Molecular Formula: C6H10O6

Natural Isotopic Abundance Mass: 178.14

Mono-Isotopic Molecular Masses:

  • C12N14: 178.047738054
  • C13N14: 184.06786708
  • C12N15: 178.047738054
  • C13N15: 184.06786708

InChI string: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1

IUPAC: (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one

PubChem Compound (CID): 7027
KEGG Compound ID: C00198
CAS Registry number: 1335-57-5 4253-68-3 71033-49-3 90-80-2
ChEBI: 16217
HSDB: 488
EINECS: 202-016-5
PDB Compound ID: LGC

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)