(1R,2R,3S,4S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl phosphate
  CDK    2/12/10,15:27

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.8401    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1237    0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1237   -0.5563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3033    1.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263    1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263    2.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388    0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    0.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901    0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046    0.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296    1.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    0.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296    0.2699    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296   -0.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5546    1.9176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0 
  6  4  1  0  0  0  0 
  1  8  1  0  0  0  0 
  8  2  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  1 16  1  1  0  0  0 
  2  3  1  1  0  0  0 
  4  5  1  1  0  0  0 
  6  7  1  6  0  0  0 
  8  9  1  6  0  0  0 
 10 11  1  6  0  0  0 
 11 14  1  0  0  0  0 
 14 12  2  0  0  0  0 
 14 13  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  CHG  1  13  -1
M  CHG  1  15  -1
M  CHG  1  16   1
M  END
> <ID>
CHEBI:58325

> <NAME>
1-ammonio-1-deoxy-scyllo-inositol 4-phosphate(1-)

> <DEFINITION>
An inositol phosphate oxoanion that is the conjugate base of 1-amino-1-deoxy-scyllo-inositol 4-phosphate, arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
1-ammonio-1-deoxy-scyllo-inositol 4-phosphate anion; 1-amino-1-deoxy-scyllo-inositol 4-phosphate

> <IUPAC_NAME>
1-azaniumyl-1-deoxy-scyllo-inositol 4- phosphate

> <FORMULA>
C6H13NO8P

> <MASS>
258.14310

> <MONOISOTOPIC_MASS>
258.03788

> <CHARGE>
-1

> <SMILES>
[NH3+][C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/p-1/t1-,2-,3+,4+,5-,6-

> <INCHIKEY>
AYESCHMRXGYEFV-CDRYSYESSA-M

$$$$