Mol:BMCCPTPTp011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 18 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 3 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 0 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 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
8.9282 -0.5000 0.0000 O 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
13 14 1 4 0 0 0
12 6 1 0 0 0 0
12 15 2 0 0 0 0
13 12 1 0 0 0 0
13 16 1 0 0 0 0
3 4 1 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
10 4 1 0 0 0 0
9 10 2 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
6 7 1 0 0 0 0
6 5 1 4 0 0 0
5 10 1 0 0 0 0
4 17 2 0 0 0 0
2 11 1 0 0 0 0
S SKP 7
ID BMCCPTPTp011
NAME 6-Lactoyl-5,6,7,8-tetrahydro-pterin
FORMULA C9H13N5O3
EXACTMASS 239.1018
AVERAGEMASS 239.2314
SMILES CC(O)C(=O)C(C2)NC(C(=O)1)=C(N2)N=C(N)N1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04244
M END
