Marvin  03240818052D          

 16 15  0  0  1  0            999 V2000
   -2.1434    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  1  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4 12  1  1  0  0  0
  4  5  1  0  0  0  0
  5 13  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  7  8  1  0  0  0  0
  8 15  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:15925

> <NAME>
2-dehydro-3-deoxy-6-phospho-D-gluconic acid

> <DEFINITION>
The 5-phospho derivative of 2-dehydro-D-gluconic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11543; CHEBI:11551; CHEBI:12227; CHEBI:1051; CHEBI:19522

> <SYNONYM>
Kdpg intermediate; 6-Phospho-2-dehydro-3-deoxy-D-gluconate; 6-phospho-2-dehydro-3-deoxy-D-gluconate; 3-Deoxy-D-erythro-hex-2-ulosonic acid 6-phosphate; 2-Keto-3-deoxy-6-phosphogluconate; 2-keto-3-deoxy-6-phosphogluconate; 2-Dehydro-3-deoxy-D-gluconate 6-phosphate; 2-dehydro-3-deoxy-D-gluconate 6-phosphate; 2-Dehydro-3-deoxy-6-phospho-D-gluconate; 2-dehydro-3-deoxy-6-phospho-D-gluconate

> <IUPAC_NAME>
3-deoxy-6-O-phosphono-D-erythro-hex-2-ulosonic acid

> <FORMULA>
C6H11O9P

> <MASS>
258.11990

> <MONOISOTOPIC_MASS>
258.01407

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1

> <INCHIKEY>
OVPRPPOVAXRCED-WVZVXSGGSA-N

> <CAS_REGISTRY_NUMBER>
27244-54-8

> <CHEMIDPLUS>
27244-54-8

> <KEGG_COMPOUND_ACCESSION>
C04442

> <KNAPSACK_ACCESSION>
C00019434

$$$$