Mol:BMCCPTFOk015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 43 0 0 1 0 0 0 0 0999 V2000 | + | 41 43 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.7500 0.0000 N 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 13.2583 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -1.2500 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 | + | 14.1244 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.8564 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.8564 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 15.8564 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 16.7224 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.5885 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5885 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.4545 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4545 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.8564 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 -0.2500 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 |
| − | 16.7224 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.4545 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4545 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.3205 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.3205 1.7500 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 1 0 0 0 0 | + | 3 4 1 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 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 4 0 0 0 | + | 6 7 1 4 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 |
| − | 4 33 2 0 0 0 0 | + | 4 33 2 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 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 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 34 2 0 0 0 0 | + | 20 34 2 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 22 35 1 0 0 0 0 | + | 22 35 1 0 0 0 0 |
| − | 22 36 2 0 0 0 0 | + | 22 36 2 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 37 2 0 0 0 0 | + | 26 37 2 0 0 0 0 |
| − | 29 27 1 4 0 0 0 | + | 29 27 1 4 0 0 0 |
| − | 29 28 1 0 0 0 0 | + | 29 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
| − | 32 41 2 0 0 0 0 | + | 32 41 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 28 38 2 0 0 0 0 | + | 28 38 2 0 0 0 0 |
| − | 28 39 1 0 0 0 0 | + | 28 39 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTFOk015 | + | ID BMCCPTFOk015 |
| − | NAME Tetrahydrofolyl-[Glu] | + | NAME Tetrahydrofolyl-[Glu] |
| − | FORMULA C24H30N8O9 | + | FORMULA C24H30N8O9 |
| − | EXACTMASS 574.2135 | + | EXACTMASS 574.2135 |
| − | AVERAGEMASS 574.5435 | + | AVERAGEMASS 574.5435 |
| − | SMILES c(c1C(=O)N[C@H](C(O)=O)CCC(NC(C(O)=O)CCC(O)=O)=O)cc(NCC(N2)CNC(N=3)=C2C(NC(N)3)=O)cc1 | + | SMILES c(c1C(=O)N[C@H](C(O)=O)CCC(NC(C(O)=O)CCC(O)=O)=O)cc(NCC(N2)CNC(N=3)=C2C(NC(N)3)=O)cc1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03541 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03541 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 43 0 0 1 0 0 0 0 0999 V2000
3.7321 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 N 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 -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
10.6603 -1.2500 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
9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.1244 -1.2500 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
14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
16.7224 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -0.2500 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
16.7224 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.3205 1.7500 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 1 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
4 33 2 0 0 0 0
2 13 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
17 16 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
20 34 2 0 0 0 0
23 21 1 0 0 0 0
23 24 1 1 0 0 0
22 35 1 0 0 0 0
22 36 2 0 0 0 0
23 22 1 0 0 0 0
24 25 1 0 0 0 0
26 27 1 0 0 0 0
25 26 1 0 0 0 0
26 37 2 0 0 0 0
29 27 1 4 0 0 0
29 28 1 0 0 0 0
29 30 1 0 0 0 0
31 30 1 0 0 0 0
32 41 2 0 0 0 0
31 32 1 0 0 0 0
32 40 1 0 0 0 0
28 38 2 0 0 0 0
28 39 1 0 0 0 0
S SKP 7
ID BMCCPTFOk015
NAME Tetrahydrofolyl-[Glu]
FORMULA C24H30N8O9
EXACTMASS 574.2135
AVERAGEMASS 574.5435
SMILES c(c1C(=O)N[C@H](C(O)=O)CCC(NC(C(O)=O)CCC(O)=O)=O)cc(NCC(N2)CNC(N=3)=C2C(NC(N)3)=O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03541
M END
