Mol:BMCCPTPTe002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 31  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.0622    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.9282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603   -0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1603   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1603    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923   -0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8923   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8923    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1244   -0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   13.6244   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.6244    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9904   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 13 12  1  0  0  0  0 
 13 14  1  0  0  0  0 
 12 16  1  1  0  0  0 
 13 17  1  6  0  0  0 
 14 18  1  0  0  0  0 
 12  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  6  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5 10  1  0  0  0  0 
  9  8  1  0  0  0  0 
 10  9  2  0  0  0  0 
 10  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  1  9  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 27 30  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 26  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 24  2  0  0  0  0 
  4 15  1  0  0  0  0 
  2 11  1  0  0  0  0 
S  SKP  7 
ID	BMCCPTPTe002 
NAME	2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-dihydro-pteridine triphosphate 
FORMULA	C9H16N5O13P3 
EXACTMASS	494.9957 
AVERAGEMASS	495.1705 
SMILES	Nc(n1)nc(N2)c(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04895 
M  END