ISISHOST03240423122D 1   1.00000     0.00000  4798

 27 28  0     1  0            999 V2000
    1.7276    0.0828    0.0000 C   0  0  2  0  0  0           0  0  0
    2.5172    0.3345    0.0000 N   0  0  3  0  0  0           0  0  0
    1.0552    0.5897    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4793   -0.6828    0.0000 C   0  0  1  0  0  0           0  0  0
    3.1172   -0.2310    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7034    1.1310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3828    0.0966    0.0000 C   0  0  1  0  0  0           0  0  0
    0.6448   -0.6828    0.0000 C   0  0  1  0  0  0           0  0  0
    1.7345   -1.4828    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9069    0.0069    0.0000 N   0  0  0  0  0  0           0  0  0
    2.9310   -1.0379    0.0000 O   0  0  0  0  0  0           0  0  0
    3.4931    1.3724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4034    0.3483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3862   -1.4897    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0897    0.8069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0655   -0.1483    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8862    1.0414    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.8828   -0.1483    0.0000 P   0  0  3  0  0  0           0  0  0
   -2.7034   -0.1483    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8862   -0.9690    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8862    0.6690    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.5172   -0.1483    0.0000 P   0  0  3  0  0  0           0  0  0
   -4.3379   -0.1483    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5241   -0.9690    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.5241    0.6690    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.7517    0.5655    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.5759    0.5655    0.0000 N   0  0  0  0  0  0           0  0  0
  1  2  1  1     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  4  9  1  6     0  0
  5 10  1  0     0  0
  5 11  2  0     0  0
  6 12  2  0     0  0
  7 13  1  1     0  0
  8 14  1  6     0  0
 10 15  2  0     0  0
 13 16  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  0     0  0
 18 21  2  0     0  0
 19 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  0     0  0
 22 25  2  0     0  0
 23 26  1  0     0  0
 26 27  1  0     0  0
  7  8  1  0     0  0
 12 15  1  0     0  0
M  END
> <ID>
CHEBI:3276

> <NAME>
CMP-2-aminoethylphosphonate

> <STAR>
2

> <SYNONYM>
CMPciliatine; CMP-2-aminoethylphosphonate

> <FORMULA>
C11H20N4O10P2

> <MASS>
430.245

> <MONOISOTOPIC_MASS>
430.06547

> <CHARGE>
0

> <SMILES>
NCCP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O

> <INCHI>
InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1

> <INCHIKEY>
FBADRUOBFLBKJQ-PEBGCTIMSA-N

> <KEGG_COMPOUND_ACCESSION>
C05673

$$$$