Mol:BMCCPTPTe002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 31 0 0 1 0 0 0 0 0999 V2000 | + | 30 31 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 |
| − | 14.1244 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.6244 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.6244 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.6244 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.6244 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 13 17 1 6 0 0 0 | + | 13 17 1 6 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 12 6 1 0 0 0 0 | + | 12 6 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 2 0 0 0 0 | + | 27 30 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 4 15 1 0 0 0 0 | + | 4 15 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTPTe002 | + | ID BMCCPTPTe002 |
| − | NAME 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-dihydro-pteridine triphosphate | + | NAME 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-dihydro-pteridine triphosphate |
| − | FORMULA C9H16N5O13P3 | + | FORMULA C9H16N5O13P3 |
| − | EXACTMASS 494.9957 | + | EXACTMASS 494.9957 |
| − | AVERAGEMASS 495.1705 | + | AVERAGEMASS 495.1705 |
| − | SMILES Nc(n1)nc(N2)c(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(O)1 | + | SMILES Nc(n1)nc(N2)c(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04895 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04895 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 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
14.1244 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
13.6244 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6244 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13 12 1 0 0 0 0
13 14 1 0 0 0 0
12 16 1 1 0 0 0
13 17 1 6 0 0 0
14 18 1 0 0 0 0
12 6 1 0 0 0 0
7 8 1 0 0 0 0
7 6 1 0 0 0 0
6 5 2 0 0 0 0
5 10 1 0 0 0 0
9 8 1 0 0 0 0
10 9 2 0 0 0 0
10 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 9 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 2 0 0 0 0
22 23 1 0 0 0 0
23 26 1 0 0 0 0
23 25 1 0 0 0 0
23 24 2 0 0 0 0
4 15 1 0 0 0 0
2 11 1 0 0 0 0
S SKP 7
ID BMCCPTPTe002
NAME 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-dihydro-pteridine triphosphate
FORMULA C9H16N5O13P3
EXACTMASS 494.9957
AVERAGEMASS 495.1705
SMILES Nc(n1)nc(N2)c(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04895
M END
