Mrv0541 01201515502D          

 26 28  0  0  1  0            999 V2000
   18.8344   10.1062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8344    9.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1200    8.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1198    8.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8344    7.6312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5488    8.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5488    8.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3334    9.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8185    8.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3334    7.7887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5884    7.0039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.1034    6.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5883    5.6690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.3729    5.9240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0404    5.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3731    6.7490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0404    7.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5083    4.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7939    3.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7939    4.4719    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.7939    5.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0795    4.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3333    4.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3650    4.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6506    4.8845    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   17.3650    3.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  6  0  0  0
 18 20  1  0  0  0  0
 20 19  2  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
> <ID>
CHEBI:83621

> <NAME>
fatty acyl-AMP

> <DEFINITION>
An acyl-AMP that results from the formal condensation of the phosphoryl group of AMP with the carboxyl group of any fatty acid.

> <STAR>
3

> <SYNONYM>
fatty acyl-adenylate; fatty acyl-adenosine-5-monophosphate

> <FORMULA>
C11H13N5O8PR

> <MASS>
374.224

> <MONOISOTOPIC_MASS>
374.05017

> <CHARGE>
0

> <SMILES>
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC([*])=O)[C@@H](O)[C@H]1O

$$$$