Ketcher 11211916032D 1   1.00000     0.00000     0

 19 19  0     1  0            999 V2000
   13.2780   -4.9627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1441   -5.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0100   -4.9627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1441   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0100   -6.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2780   -6.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2780   -7.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4120   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5460   -6.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4120   -4.4626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4120   -5.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6801   -5.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8139   -4.9627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482   -6.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482   -5.4626    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5460   -4.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5460   -3.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0771   -4.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097   -4.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0     0  0
  1  2  1  0     0  0
 11  8  1  0     0  0
  8  6  1  0     0  0
  6  4  1  0     0  0
  4  2  1  0     0  0
  2  3  1  1     0  0
  4  5  1  1     0  0
  6  7  1  1     0  0
  8  9  1  6     0  0
 11 10  1  6     0  0
 11 16  1  0     0  0
 16 12  1  0     0  0
 12 13  1  0     0  0
 13 15  1  0     0  0
 15 14  2  0     0  0
 16 17  1  1     0  0
 15 18  1  0     0  0
 15 19  1  0     0  0
M  END
> <ID>
CHEBI:60202

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

> <DEFINITION>
The 1-β-anomer of D-glycero-D-manno-heptose 7-phosphate.

> <STAR>
3

> <SYNONYM>
7-O-phosphono-D-glycero-beta-D-manno-heptopyranose; (5R)-5-[(1R)-1-hydroxy-2-(phosphonooxy)ethyl]-beta-D-lyxopyranose

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

> <FORMULA>
C7H15O10P

> <MASS>
290.161

> <MONOISOTOPIC_MASS>
290.04028

> <CHARGE>
0

> <SMILES>
O1[C@]([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)([H])[C@@H](COP(=O)(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-ZUHYCWGWSA-N

> <PDBECHEM_ACCESSION>
M7B

$$$$