Mol:BMCCPTFO0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  1  0  0  0  0  0999 V2000 
    3.7321    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
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    8.0622    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   14.9904   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1244    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9904   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
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 12 11  2  0  0  0  0 
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  6  5  1  4  0  0  0 
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  7  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
  2 13  1  0  0  0  0 
  4 27  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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 20 28  2  0  0  0  0 
 23 21  1  0  0  0  0 
 23 24  1  6  0  0  0 
 23 22  1  0  0  0  0 
 22 30  2  0  0  0  0 
 22 29  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 32  1  0  0  0  0 
 26 31  2  0  0  0  0 
S  SKP  7 
ID	BMCCPTFO0016 
NAME	(2S) -2- [ [4- [(2-Amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl) methylamino] benzoyl] amino] pentanedioic acid 
CAS_RN	 135-16-0 
FORMULA	C19H23N7O6 
EXACTMASS	445.1709 
AVERAGEMASS	445.4295 
SMILES	c(c21)(NCC(CNc(c3)ccc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)nc(N)nc1O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05237 
M  END