Mol:BMCCPTFO0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 1 0 0 0 0 0999 V2000 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 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 | + | 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 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 | + | 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 | + | 2.0000 3.2500 0.0000 N 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 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 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 -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 | + | 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 -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 | + | 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 | + | 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 | + | 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 | + | 14.9904 -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 | + | 14.1244 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 | + | 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 | + | 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 1 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 11 1 1 0 0 0 0 | + | 11 1 1 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 12 5 1 0 0 0 0 | + | 12 5 1 0 0 0 0 |
| − | 6 5 1 4 0 0 0 | + | 6 5 1 4 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 4 27 1 0 0 0 0 | + | 4 27 1 0 0 0 0 |
| − | 6 9 1 0 0 0 0 | + | 6 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 14 19 2 0 0 0 0 | + | 14 19 2 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 18 17 2 0 0 0 0 | + | 18 17 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 16 15 2 0 0 0 0 | + | 16 15 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 28 2 0 0 0 0 | + | 20 28 2 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 23 24 1 6 0 0 0 | + | 23 24 1 6 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 22 30 2 0 0 0 0 | + | 22 30 2 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 26 31 2 0 0 0 0 | + | 26 31 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTFO0016 | + | ID BMCCPTFO0016 |
| − | NAME Tetrahydro-pteroyl-L-glutamic acid | + | NAME Tetrahydro-pteroyl-L-glutamic acid |
| − | FORMULA C19H23N7O6 | + | FORMULA C19H23N7O6 |
| − | EXACTMASS 445.1709 | + | EXACTMASS 445.1709 |
| − | AVERAGEMASS 445.4295 | + | 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 | + | 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 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05237 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
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
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
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
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
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
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
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
10 14 1 0 0 0 0
14 19 2 0 0 0 0
19 18 1 0 0 0 0
18 17 2 0 0 0 0
17 16 1 0 0 0 0
16 15 2 0 0 0 0
15 14 1 0 0 0 0
20 17 1 0 0 0 0
20 21 1 0 0 0 0
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 Tetrahydro-pteroyl-L-glutamic acid
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
