Mol:BMCCPTPTq010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 18 0 0 1 0 0 0 0 0999 V2000 | + | 17 18 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -0.5000 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 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 9 1 1 4 0 0 0 | + | 9 1 1 4 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 10 5 2 0 0 0 0 | + | 10 5 2 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 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 4 15 2 0 0 0 0 | + | 4 15 2 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 12 16 1 6 0 0 0 | + | 12 16 1 6 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTPTq010 | + | ID BMCCPTPTq010 |
| − | NAME 6,7- | + | NAME 2-Amino-6- [(1R,2S) -1,2-dihydroxypropyl] -6,7-dihydro-1H-pteridin-4-one |
| − | FORMULA C9H15N5O3 | + | FORMULA C9H15N5O3 |
| − | EXACTMASS 241.1174 | + | EXACTMASS 241.1174 |
| − | AVERAGEMASS 241.2473 | + | AVERAGEMASS 241.2473 |
| − | SMILES C[C@@H](O)[C@H](O)C(C2)N=C(C(=O)1)C(N2)N=C(N)N1 | + | SMILES C[C@@H](O)[C@H](O)C(C2)N=C(C(=O)1)C(N2)N=C(N)N1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00268 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00268 |
M END | M END | ||
| − | |||
Latest revision as of 17:11, 15 June 2010
Copyright: ARM project http://www.metabolome.jp/
17 18 0 0 1 0 0 0 0 0999 V2000
3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 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 10 1 0 0 0 0
9 1 1 4 0 0 0
10 9 1 0 0 0 0
10 5 2 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 9 1 0 0 0 0
2 11 1 0 0 0 0
4 15 2 0 0 0 0
6 12 1 0 0 0 0
12 16 1 6 0 0 0
12 13 1 0 0 0 0
13 14 1 1 0 0 0
13 17 1 0 0 0 0
S SKP 7
ID BMCCPTPTq010
NAME 2-Amino-6- [(1R,2S) -1,2-dihydroxypropyl] -6,7-dihydro-1H-pteridin-4-one
FORMULA C9H15N5O3
EXACTMASS 241.1174
AVERAGEMASS 241.2473
SMILES C[C@@H](O)[C@H](O)C(C2)N=C(C(=O)1)C(N2)N=C(N)N1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00268
M END
