Marvin  02210717092D          

 20 19  0  0  1  0            999 V2000
   10.9522   -8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3767   -7.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9522   -7.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3767   -6.4744    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9522   -5.7669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3767   -5.0596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9522   -4.3521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3767   -3.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1387   -8.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1902   -7.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1902   -6.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1387   -5.7669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1902   -5.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1387   -4.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1902   -3.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3767   -9.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793   -2.9373    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.8718   -2.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0037   -2.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3220   -3.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  2  1  1  0  0  0  0
 16  1  2  0  0  0  0
 10  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4 11  1  6  0  0  0
  5  4  1  0  0  0  0
  5 12  1  1  0  0  0
  6  5  1  0  0  0  0
  6 13  1  1  0  0  0
  7  6  1  0  0  0  0
  7 14  1  6  0  0  0
  8  7  1  0  0  0  0
 15  8  1  0  0  0  0
 17 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
> <ID>
CHEBI:18069

> <NAME>
8-phospho-3-deoxy-D-manno-oct-2-ulosonic acid

> <DEFINITION>
A ketoaldonic acid phosphate consisting of 3-deoxy-D-manno-oct-2-ulosonic acid having a phospho group at the 8-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11788; CHEBI:20006; CHEBI:11552; CHEBI:1494

> <SYNONYM>
3-Deoxy-D-manno-octulosonate 8-phosphate; 2-Dehydro-3-deoxy-D-octonate 8-phosphate

> <IUPAC_NAME>
3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid

> <FORMULA>
C8H15O11P

> <MASS>
318.17190

> <MONOISOTOPIC_MASS>
318.03520

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1

> <INCHIKEY>
RTNBXJBOAIDPME-SHUUEZRQSA-N

> <KEGG_COMPOUND_ACCESSION>
C04478

> <METACYC_ACCESSION>
KDO-8P

> <PDBECHEM_ACCESSION>
KD0

$$$$