(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
  CDK    2/12/10,15:28

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.1875    1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6164    0.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.5563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6164    1.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    3.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    2.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    3.1563    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7270    3.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  8  1  0  0  0  0 
  8  6  1  0  0  0  0 
  6 10  1  0  0  0  0 
  1 12  1  1  0  0  0 
  2  3  1  1  0  0  0 
  4  5  1  1  0  0  0 
  6  7  1  1  0  0  0 
  8  9  1  6  0  0  0 
 10 11  1  6  0  0  0 
 12 15  1  0  0  0  0 
 15 13  2  0  0  0  0 
 15 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  CHG  1  14  -1
M  CHG  1  16  -1
M  END
> <ID>
CHEBI:58433

> <NAME>
1D-myo-inositol 1-phosphate(2-)

> <DEFINITION>
An organophosphate oxoanion that is the dianion of 1D-myo-inositol 1-phosphate.

> <STAR>
3

> <SYNONYM>
1D-myo-inositol 1-phosphate dianion; 1D-myo-inositol 1-phosphate; (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

> <IUPAC_NAME>
1D-myo-inositol 1-phosphate

> <FORMULA>
C6H11O9P

> <MASS>
258.11990

> <MONOISOTOPIC_MASS>
258.01407

> <CHARGE>
-2

> <SMILES>
O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1

> <INCHIKEY>
INAPMGSXUVUWAF-UOTPTPDRSA-L

> <METACYC_ACCESSION>
D-MYO-INOSITOL-1-MONOPHOSPHATE

> <PDBECHEM_ACCESSION>
IPD

> <PUBMED_CITATION>
17439666

$$$$