
 adenosine 5'-monophosphate

 37 39  0  0  0  0  0  0  0  0999 V2000
   -3.7841    1.0191    1.3854 C   0  0  0  0  0
   -2.6290    1.5463    0.9244 N   0  0  0  0  0
   -1.7223    1.6377    1.9111 C   0  0  0  0  0
   -1.8887    1.2800    3.2399 C   0  0  0  0  0
   -3.1336    0.7367    3.5970 C   0  0  0  0  0
   -4.0860    0.6266    2.6426 N   0  0  0  0  0
   -3.4389    0.3233    4.8871 N   0  0  0  0  0
   -0.7525    1.5571    3.9693 N   0  0  0  0  0
    0.0967    2.0495    3.0906 C   0  0  0  0  0
   -0.4407    2.1111    1.8320 N   0  0  0  0  0
    0.2240    2.5372    0.6176 C   0  0  0  0  0
   -0.4786    3.6606   -0.1740 C   0  0  0  0  0
    0.7195    4.3300   -0.8302 C   0  0  0  0  0
    1.7211    4.3012    0.3298 C   0  0  0  0  0
    1.5622    3.0034    0.9408 O   0  0  0  0  0
    3.1860    4.5492   -0.0155 C   0  0  0  0  0
    3.6337    3.6690   -1.0390 O   0  0  0  0  0
    5.1907    3.7541   -1.4059 P   0  0  0  0  0
    6.1659    3.6601   -0.2885 O   0  0  0  0  0
    5.3616    2.6241   -2.5165 O   0  0  0  0  0
    5.3049    5.0859   -2.2748 O   0  0  0  0  0
    1.1078    3.5409   -1.9558 O   0  0  0  0  0
   -1.1406    4.6210    0.6600 O   0  0  0  0  0
   -4.5766    0.8964    0.6530 H   0  0  0  0  0
   -4.4338    0.3162    5.0651 H   0  0  0  0  0
   -2.8338    0.7292    5.5927 H   0  0  0  0  0
    1.1084    2.3681    3.3103 H   0  0  0  0  0
    0.3520    1.6446   -0.0077 H   0  0  0  0  0
   -1.2006    3.2656   -0.8960 H   0  0  0  0  0
    0.5241    5.3528   -1.1654 H   0  0  0  0  0
    1.4270    5.0349    1.0917 H   0  0  0  0  0
    3.8020    4.3849    0.8752 H   0  0  0  0  0
    3.3201    5.5805   -0.3575 H   0  0  0  0  0
    5.4646    1.7433   -2.1116 H   0  0  0  0  0
    6.2249    5.2415   -2.5548 H   0  0  0  0  0
    2.0776    3.6189   -2.0589 H   0  0  0  0  0
   -1.9949    4.2238    0.9193 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
 23 37  1  0  0  0
M  END

>  <Chemical Name>
adenosine 5'-monophosphate

>  <PubChem CID>
6083

>  <Formula>
C10H14N5O7P

>  <Molecular Weight>
347.224000

>  <IUPAC Name>
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

>  <XlogP>
-3.500

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

>  <Isomeric SMILES>
C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

>  <InChI Std. ID>
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

>  <InChI Key>
UDMBCSSLTHHNCD-KQYNXXCUSA-N

