Mol:BMCCPTFOs005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 1 0 0 0 0 0999 V2000 | + | 33 36 0 0 1 0 0 0 0 0999 V2000 |
| − | 9.9345 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9345 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8005 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8005 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8005 3.9385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8005 3.9385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9345 3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9345 3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2024 3.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2024 3.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3364 3.9385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.3364 3.9385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 7.3364 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3364 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2024 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2024 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9945 2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9945 2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0000 2.3558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0000 2.3558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0685 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0685 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0685 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0685 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6665 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6665 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5933 3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5933 3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -1.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5000 -1.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 -3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -4.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -4.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9345 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9345 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -5.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 -5.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 -4.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 -4.5724 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 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 |
| − | 4 28 2 0 0 0 0 | + | 4 28 2 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 10 15 1 0 0 0 0 | + | 10 15 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 15 20 2 0 0 0 0 | + | 15 20 2 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 29 2 0 0 0 0 | + | 21 29 2 0 0 0 0 |
| − | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
| − | 24 25 1 6 0 0 0 | + | 24 25 1 6 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 23 30 2 0 0 0 0 | + | 23 30 2 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 27 32 2 0 0 0 0 | + | 27 32 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 6 14 1 4 0 0 0 | + | 6 14 1 4 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTFOs005 | + | ID BMCCPTFOs005 |
| − | NAME 5,10-Methylene-tetrahydro-folic acid | + | NAME 5,10-Methylene-tetrahydro-folic acid |
| − | FORMULA C20H23N7O6 | + | FORMULA C20H23N7O6 |
| − | EXACTMASS 457.1709 | + | EXACTMASS 457.1709 |
| − | AVERAGEMASS 457.4402 | + | AVERAGEMASS 457.4402 |
| − | SMILES c(c1)c(ccc1N(C4)CN(C34)C(=C2NC3)C(NC(N)=N2)=O)C(N[C@H](CCC(O)=O)C(O)=O)=O | + | SMILES c(c1)c(ccc1N(C4)CN(C34)C(=C2NC3)C(NC(N)=N2)=O)C(N[C@H](CCC(O)=O)C(O)=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00143 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00143 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 1 0 0 0 0 0999 V2000
9.9345 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8005 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8005 3.9385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9345 3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2024 3.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3364 3.9385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.3364 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2024 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9945 2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 2.3558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0685 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0685 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6665 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5933 3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0000 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -4.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9345 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -5.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -4.5724 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 0 0 0 0
7 8 1 0 0 0 0
8 11 1 0 0 0 0
4 28 2 0 0 0 0
2 13 1 0 0 0 0
10 15 1 0 0 0 0
18 19 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
15 20 2 0 0 0 0
20 19 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
21 29 2 0 0 0 0
24 22 1 0 0 0 0
24 25 1 6 0 0 0
23 31 1 0 0 0 0
23 30 2 0 0 0 0
24 23 1 0 0 0 0
25 26 1 0 0 0 0
27 33 1 0 0 0 0
27 32 2 0 0 0 0
26 27 1 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
6 14 1 4 0 0 0
10 14 1 0 0 0 0
S SKP 7
ID BMCCPTFOs005
NAME 5,10-Methylene-tetrahydro-folic acid
FORMULA C20H23N7O6
EXACTMASS 457.1709
AVERAGEMASS 457.4402
SMILES c(c1)c(ccc1N(C4)CN(C34)C(=C2NC3)C(NC(N)=N2)=O)C(N[C@H](CCC(O)=O)C(O)=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00143
M END
