Mol:BMCCPTFOr009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 35 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
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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
2.0000 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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
13.2583 -3.2500 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
2 1 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 12 1 0 0 0 0
11 1 1 0 0 0 0
12 11 2 0 0 0 0
12 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 4 0 0 0
7 8 1 0 0 0 0
8 11 1 0 0 0 0
2 13 1 0 0 0 0
4 28 1 0 0 0 0
6 9 1 0 0 0 0
9 10 1 0 0 0 0
10 15 1 0 0 0 0
15 20 2 0 0 0 0
20 19 1 0 0 0 0
19 18 2 0 0 0 0
18 17 1 0 0 0 0
17 16 2 0 0 0 0
16 15 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 29 2 0 0 0 0
5 14 1 0 0 0 0
24 22 1 0 0 0 0
24 25 1 6 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
24 23 1 0 0 0 0
23 31 2 0 0 0 0
23 30 1 0 0 0 0
27 32 1 0 0 0 0
33 27 2 0 0 0 0
S SKP 7
ID BMCCPTFOr009
NAME 5-Methyl-tetrahydro-pteroyl-L-glutamic acid
FORMULA C20H25N7O6
EXACTMASS 459.1866
AVERAGEMASS 459.456
SMILES C(Nc(c3)ccc(C(N[C@@H](CCC(O)=O)C(O)=O)=O)c3)C(N(C)1)CNc(n2)c1c(nc(N)2)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05236
M END
