Marvin  11280723102D          

 12 12  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  1  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  7  2  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  6  0  0  0
  4  5  1  0  0  0  0
  5  9  1  1  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6 10  1  6  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:16217

> <NAME>
D-glucono-1,5-lactone

> <DEFINITION>
An  aldono-1,5-lactone obtained from D-gluconic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43753; CHEBI:12957; CHEBI:20988; CHEBI:4159

> <SYNONYM>
Gluconolactone; Gluconolactone; Gluconic lactone; gluconic delta-lactone; Gluconic acid lactone; Glucarolactone; delta-Gluconolactone; delta-D-gluconolactone; D-threo-Aldono-1,5-lactone; D-Gluconolactone; D-glucono-1,5-lactone; D-Glucono-1,5-lactone; D-gluconic acid lactone; D-gluconic acid delta-lactone; D-Aldonolactone; 1,5-Gluconolactone; 1,5-D-gluconolactone; (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one

> <IUPAC_NAME>
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one

> <FORMULA>
C6H10O6

> <MASS>
178.14000

> <MONOISOTOPIC_MASS>
178.04774

> <CHARGE>
0

> <SMILES>
OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI>
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

> <INCHIKEY>
PHOQVHQSTUBQQK-SQOUGZDYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
83286

> <CAS_REGISTRY_NUMBER>
90-80-2

> <GMELIN_REGISTRY_NUMBER>
50890

> <REAXYS_REGISTRY_NUMBER>
83286

> <CHEMIDPLUS>
90-80-2

> <DRUGBANK_ACCESSION>
DB04564

> <KEGG_COMPOUND_ACCESSION>
C00198

> <KEGG_DRUG_ACCESSION>
D04332

> <PDBECHEM_ACCESSION>
LGC

> <WIKIPEDIA_ACCESSION>
Gluconolactone

> <PUBMED_CITATION>
23349779; 24392858

$$$$