ChEBI
  Marvin  02221117112D          

 16 15  0  0  1  0            999 V2000
   14.0639   -8.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494   -8.6715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6349   -8.2590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9204   -8.6715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2060   -8.2590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4915   -8.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7770   -8.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783   -8.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494   -9.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349   -7.4340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9204   -9.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2060   -7.4340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4928   -8.2590    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.2073   -7.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9053   -8.9735    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.0803   -7.5445    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  2  9  1  1  0  0  0
  3 10  1  6  0  0  0
  4 11  1  6  0  0  0
  5 12  1  1  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  2  15  -1  16  -1
M  END
> <ID>
CHEBI:61381

> <NAME>
D-mannitol 1-phosphate(2-)

> <DEFINITION>
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-mannitol.

> <STAR>
3

> <SYNONYM>
D-mannitol 1-phosphate dianion; D-mannitol 1-phosphate; D-mannitol 1-phosphate

> <IUPAC_NAME>
D-mannitol 1-phosphate; 1-O-phosphonato-D-mannitol

> <FORMULA>
C6H13O9P

> <MASS>
260.13580

> <MONOISOTOPIC_MASS>
260.03082

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4-,5-,6-/m1/s1

> <INCHIKEY>
GACTWZZMVMUKNG-KVTDHHQDSA-L

> <REAXYS_REGISTRY_NUMBER>
8504206

> <METACYC_ACCESSION>
MANNITOL-1P

$$$$