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-Glucono-1,5-lactone image

Molecular Formula: C6 H10 O6

Natural Isotopic Abundance Mass: 178.14

Mono-Isotopic Molecular Masses:

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

InCHi String:

isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O

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

IUPAC: IUPAC systematic

IUPAC traditional

IUPAC cas: IUPAC openeye

PubChem Substance (SID):   85165040   150049   3498
PubChem Compound (CID):   7027
KEGG: Compound ID   C00198
CAS Registry IDs:   1335-57-5   4253-68-3   71033-49-3   90-80-2
PDB Chemical Component   LGC
Miscellaneous Databases and IDs:   CHEBI 16217   HSDB 488   EINECS 202-016-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.