Mol:BMCCPTFOo003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 54 0 0 1 0 0 0 0 0999 V2000
3.7321 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.1244 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9904 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20 15 1 0 0 0 0
30 31 1 0 0 0 0
34 49 1 0 0 0 0
31 32 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 12 1 0 0 0 0
11 1 1 0 0 0 0
1 2 2 0 0 0 0
29 28 1 0 0 0 0
2 13 1 0 0 0 0
34 50 2 0 0 0 0
28 47 1 0 0 0 0
36 37 1 0 0 0 0
28 46 2 0 0 0 0
38 51 2 0 0 0 0
32 48 2 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
4 40 2 0 0 0 0
29 33 1 1 0 0 0
6 9 1 0 0 0 0
38 52 1 0 0 0 0
9 10 1 0 0 0 0
10 15 1 0 0 0 0
33 27 1 0 0 0 0
10 14 1 0 0 0 0
37 38 1 0 0 0 0
14 41 2 0 0 0 0
35 39 1 6 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
35 34 1 0 0 0 0
24 22 1 0 0 0 0
29 30 1 0 0 0 0
24 25 1 1 0 0 0
35 36 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
15 16 2 0 0 0 0
21 42 2 0 0 0 0
16 17 1 0 0 0 0
24 23 1 0 0 0 0
17 18 2 0 0 0 0
23 43 1 0 0 0 0
18 19 1 0 0 0 0
23 44 2 0 0 0 0
19 20 2 0 0 0 0
27 45 2 0 0 0 0
32 39 1 0 0 0 0
S SKP 7
ID BMCCPTFOo003
NAME 10-Formyl-THF-poly-L-glutamic acid
FORMULA C30H37N9O13
EXACTMASS 731.251
AVERAGEMASS 731.6676
SMILES C(O)(=O)[C@H](CCC(O)=O)NC(CC[C@@H](C(O)=O)NC(=O)CC[C@@H](C(O)=O)NC(c(c1)ccc(N(C=O)CC(C2)NC(C3=O)=C(N=C(N3)N)N2)c1)=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05929
M END
