ChEBI


 12 12  0  0  1  0  0  0  0  0  1 V2000
   12.7351  -36.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7351  -37.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5832  -35.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5832  -38.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4314  -36.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4314  -37.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8869  -35.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8869  -38.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5832  -39.3617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2796  -38.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2796  -35.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1278  -36.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  5 11  1  1  0  0  0
 12 11  1  0  0  0  0
M  END
> <ID>
CHEBI:15945

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

> <DEFINITION>
A galactonolactone that is the D-enantiomer of galactono-1,5-lactone.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12933; CHEBI:39544; CHEBI:4134; CHEBI:20950

> <SYNONYM>
D-Galactonolactone; D-Galactono-8-lactone; D-galactono-1,5-lactone; D-Galactono-1,5-lactone; D-galactonic acid delta-lactone

> <IUPAC_NAME>
D-galactono-1,5-lactone

> <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-MGCNEYSASA-N

> <CAS_REGISTRY_NUMBER>
15892-28-1

> <DRUGBANK_ACCESSION>
DB01885

> <KEGG_COMPOUND_ACCESSION>
C02669

> <PDBECHEM_ACCESSION>
149

> <PUBMED_CITATION>
5152120

$$$$