Mol:BMCCPTPTj012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 18 0 0 1 0 0 0 0 0999 V2000
4.5981 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 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
3.7321 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 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
4.5981 -1.0000 0.0000 C 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
3.7321 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
12 6 1 0 0 0 0
13 15 2 0 0 0 0
12 16 2 0 0 0 0
2 1 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 10 1 0 0 0 0
9 1 1 0 0 0 0
10 9 2 0 0 0 0
10 5 1 0 0 0 0
6 5 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
2 11 1 0 0 0 0
4 17 2 0 0 0 0
S SKP 7
ID BMCCPTPTj012
NAME 6-Pyruvoyl-5,6,7,8-tetrahydro-pterin
FORMULA C9H11N5O3
EXACTMASS 237.0861
AVERAGEMASS 237.2155
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+C03684
M END
