Marvin  02190817272D          

 18 17  0  0  1  0            999 V2000
   -3.5724   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.2250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2250    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8579   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  0  0  0  0
 15 17  2  0  0  0  0
 11  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4 12  1  1  0  0  0
  5  4  1  0  0  0  0
  5 13  1  1  0  0  0
  5  6  1  0  0  0  0
  6 14  1  6  0  0  0
  6  7  1  0  0  0  0
 17  8  1  0  0  0  0
  8  7  1  0  0  0  0
  2  9  1  0  0  0  0
 16  9  2  0  0  0  0
  9 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:18150

> <NAME>
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid

> <DEFINITION>
A ketoaldonic acid phosphate consisting of 2-dehydro-3-deoxy-D-arabino-heptonic acid having a phospho group at the 7-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:29477; CHEBI:11785; CHEBI:11544; CHEBI:1053; CHEBI:11786; CHEBI:20003; CHEBI:19523

> <SYNONYM>
DAHP; 3-Deoxy-D-arabino-heptulosonic acid 7-phosphate; 3-deoxy-D-arabino-heptulosonate-7-phosphate; 3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate; 3-deoxy-D-arabino-2-heptulosonic acid 7-(dihydrogen phosphate); 3-Deoxy-arabino-heptulonate 7-phosphate; 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate; 2-Dahp

> <IUPAC_NAME>
3-deoxy-7-O-phosphono-D-arabino-hept-2-ulosonic acid

> <FORMULA>
C7H13O10P

> <MASS>
288.14588

> <MONOISOTOPIC_MASS>
288.02463

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1

> <INCHIKEY>
PJWIPEXIFFQAQZ-PUFIMZNGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
9347056

> <CAS_REGISTRY_NUMBER>
2627-73-8

> <KEGG_COMPOUND_ACCESSION>
C04691

> <KNAPSACK_ACCESSION>
C00007497

> <NIST_CHEMISTRY_WEBBOOK>
2627-73-8

$$$$