Marvin  08031010482D          

 18 17  0  0  1  0            999 V2000
   10.3872   -9.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3872   -8.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727   -9.4379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1016   -9.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1016  -10.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9582   -9.0254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6727  -10.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9582   -8.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2437   -9.4379    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5292   -9.0254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2437  -10.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -8.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8147   -9.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1003   -9.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3858   -9.4378    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6713   -9.0253    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3857  -10.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787   -8.6377    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  6  8  1  1  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
 10 12  1  1  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  2  16  -1  18  -1
M  END
> <ID>
CHEBI:57483

> <NAME>
sedoheptulose 7-phosphate(2-)

> <DEFINITION>
An organophosphate oxoanion that is the dianion of sedoheptulose 7-phosphate arising from deprotonation of both OH groups from the phosphate.

> <STAR>
3

> <SYNONYM>
D-sedoheptulose 7-phosphate; D-altro-hept-2-ulose 7-phosphate(2-)

> <IUPAC_NAME>
7-O-phosphonato-D-altro-hept-2-ulose

> <FORMULA>
C7H13O10P

> <MASS>
288.14590

> <MONOISOTOPIC_MASS>
288.02573

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/p-2/t4-,5-,6-,7+/m1/s1

> <INCHIKEY>
JDTUMPKOJBQPKX-GBNDHIKLSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
5106241

> <METACYC_ACCESSION>
D-SEDOHEPTULOSE-7-P

$$$$