ChEBI
  Marvin  09120512322D          

 16 15  0  0  1  0            999 V2000
    4.9317   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3562   -1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317   -2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3562   -3.0556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9317   -3.7630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3562   -4.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393   -0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1485   -1.6407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1485   -3.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393   -3.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1485   -4.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3562   -0.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0525   -4.4681    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.0357   -5.4589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9283   -4.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501   -3.6307    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  1  0  0  0
  5  4  1  0  0  0  0
  5 10  1  1  0  0  0
  6  5  1  0  0  0  0
 11  6  1  0  0  0  0
 13 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
> <ID>
CHEBI:17860

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11548; CHEBI:1057; CHEBI:19528

> <SYNONYM>
2-Dehydro-3-deoxy-D-galactonate 6-phosphate; 2-dehydro-3-deoxy-D-galactonate 6-phosphate

> <IUPAC_NAME>
6-O-phosphono-3-deoxy-D-threo-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-/m1/s1

> <INCHIKEY>
OVPRPPOVAXRCED-NQXXGFSBSA-N

> <KEGG_COMPOUND_ACCESSION>
C01286

> <PDBECHEM_ACCESSION>
KDP

$$$$