Mol:BMCCPTPTe002

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Copyright: ARM project http://www.metabolome.jp/
 30 31  0  0  1  0  0  0  0  0999 V2000
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    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
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   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
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 13 14  1  0  0  0  0
 12 16  1  1  0  0  0
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  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
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  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
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 19 22  1  0  0  0  0
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 19 21  2  0  0  0  0
 26 27  1  0  0  0  0
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 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

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