ChEBI


 12 11  0  0  1  0  0  0  0  0  1 V2000
    9.0088   -7.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6724   -6.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088   -5.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6724   -4.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088   -3.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6724   -2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6816   -7.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0346   -6.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0346   -4.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6816   -3.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0346   -2.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6724   -9.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
 12  1  2  0  0  0  0
  8  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5  4  1  0  0  0  0
  5 10  1  6  0  0  0
  6  5  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
> <ID>
CHEBI:17028

> <NAME>
2-dehydro-3-deoxy-D-galactonic acid

> <DEFINITION>
The 2-dehydro-3-deoxy derivative of D-galactonic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19527; CHEBI:11547; CHEBI:1056

> <SYNONYM>
2-Dehydro-3-deoxy-D-galactonate

> <IUPAC_NAME>
3-deoxy-D-threo-hex-2-ulosonic acid

> <FORMULA>
C6H10O6

> <MASS>
178.14000

> <MONOISOTOPIC_MASS>
178.04774

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1

> <INCHIKEY>
WPAMZTWLKIDIOP-NQXXGFSBSA-N

> <KEGG_COMPOUND_ACCESSION>
C01216

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