Mol:BMCCPTPTe016
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 1 0 0 0 0 0999 V2000 | + | 26 27 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 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.0000 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 | + | 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 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 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 | + | 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 1 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.5000 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 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -0.5000 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 |
| − | 8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1603 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1603 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1603 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1603 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8923 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8923 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8923 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8923 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
| − | 13 17 1 6 0 0 0 | + | 13 17 1 6 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 4 15 2 0 0 0 0 | + | 4 15 2 0 0 0 0 |
| − | 23 26 2 0 0 0 0 | + | 23 26 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTPTe016 | + | ID BMCCPTPTe016 |
| − | NAME | + | NAME [(2R,3S) -3- (2-Amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl) -2,3-dihydroxypropyl] dihydrogen phosphate |
| − | FORMULA C9H15N5O10P2 | + | CAS_RN 19622-43-6 |
| − | EXACTMASS 415.0294 | + | FORMULA C9H15N5O10P2 |
| − | AVERAGEMASS 415.1906 | + | EXACTMASS 415.0294 |
| − | SMILES NC(N1)=NC(N2)=C(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(O)=O)C(=O)1 | + | AVERAGEMASS 415.1906 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05925 | + | SMILES NC(N1)=NC(N2)=C(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(O)=O)C(=O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05925 | ||
M END | M END | ||
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Latest revision as of 18:04, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
26 27 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 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
4.5981 1.0000 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
7.1962 -0.5000 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
8.9282 -0.5000 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
8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.1603 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1603 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
12.8923 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8923 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
6 12 1 0 0 0 0
3 2 1 0 0 0 0
12 16 1 1 0 0 0
2 1 2 0 0 0 0
12 13 1 0 0 0 0
1 9 1 0 0 0 0
13 14 1 0 0 0 0
10 9 2 0 0 0 0
13 17 1 6 0 0 0
9 8 1 0 0 0 0
14 18 1 0 0 0 0
8 7 1 0 0 0 0
18 19 1 0 0 0 0
7 6 1 0 0 0 0
19 22 1 0 0 0 0
6 5 2 0 0 0 0
22 23 1 0 0 0 0
5 10 1 0 0 0 0
23 25 1 0 0 0 0
23 24 1 0 0 0 0
2 11 1 0 0 0 0
19 20 1 0 0 0 0
10 4 1 0 0 0 0
19 21 2 0 0 0 0
4 15 2 0 0 0 0
23 26 2 0 0 0 0
S SKP 7
ID BMCCPTPTe016
NAME [(2R,3S) -3- (2-Amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl) -2,3-dihydroxypropyl] dihydrogen phosphate
CAS_RN 19622-43-6
FORMULA C9H15N5O10P2
EXACTMASS 415.0294
AVERAGEMASS 415.1906
SMILES NC(N1)=NC(N2)=C(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(O)=O)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05925
M END
