Marvin  09190713302D          

 19 19  0  0  0  0            999 V2000
   -0.1250    1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895    1.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3039    1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895    0.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3039   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.0125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1250   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    0.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5539   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    2.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    1.2250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2684    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9829    1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6973    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2807    1.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6973    1.2250    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6973    2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5539    1.6375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5539    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11  8  1  0  0  0  0
  8  6  1  0  0  0  0
  6  4  1  0  0  0  0
  4  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  7  1  1  0  0  0
  8  9  1  6  0  0  0
 11 10  1  6  0  0  0
 11 18  1  0  0  0  0
 18 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 16 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  1  0  0  0
M  END
> <ID>
CHEBI:28723

> <NAME>
D-glycero-D-manno-heptose 7-phosphate

> <DEFINITION>
D-glycero-D-manno-heptose in which the hydrogen of the primary hydroxy group is substituted by a dihydrogen phosphate group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21032; CHEBI:4190

> <SYNONYM>
D-glycero-D-manno-Heptose 7-phosphate; 7-O-phosphono-D-glycero-D-manno-heptose

> <IUPAC_NAME>
D-glycero-D-manno-heptose 7-(dihydrogen phosphate)

> <FORMULA>
C7H15O10P

> <MASS>
290.16176

> <MONOISOTOPIC_MASS>
290.04028

> <CHARGE>
0

> <SMILES>
[H][C@@]1(OC(O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)COP(O)(O)=O

> <INCHI>
InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7?/m1/s1

> <INCHIKEY>
SDADNVAZGVDAIM-NNPWBXLPSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
10187566

> <KEGG_COMPOUND_ACCESSION>
C07836

> <KNAPSACK_ACCESSION>
C00019574

> <PDBECHEM_ACCESSION>
M7P

$$$$