Mol:BMCCPUAPt001
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 |
| − | 6.3903 2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3903 2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2858 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2858 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0948 4.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0948 4.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0084 4.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0084 4.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1129 3.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1129 3.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3039 2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3039 2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5813 2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5813 2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6859 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6859 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6678 2.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6678 2.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3723 4.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3723 4.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9903 5.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9903 5.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1007 -5.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1007 -5.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2347 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2347 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2347 -3.9704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2347 -3.9704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1007 -3.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1007 -3.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9667 -3.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9667 -3.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9667 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9667 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7099 -3.3013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7099 -3.3013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3031 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3031 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3086 -2.4923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3086 -2.4923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8327 -5.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8327 -5.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6395 -1.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.6395 -1.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.6450 -1.8537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.6450 -1.8537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.2382 -0.9401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.2382 -0.9401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.9814 -0.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.9814 -0.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8768 0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8768 0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1450 -2.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1450 -2.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 -0.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 -0.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8474 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8474 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 0.2188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 0.2188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6420 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 12 17 2 0 0 0 0 | + | 12 17 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 16 15 2 0 0 0 0 | + | 16 15 2 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 22 29 1 1 0 0 0 | + | 22 29 1 1 0 0 0 |
| − | 25 29 1 1 0 0 0 | + | 25 29 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 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 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 24 28 1 6 0 0 0 | + | 24 28 1 6 0 0 0 |
| − | 23 27 1 6 0 0 0 | + | 23 27 1 6 0 0 0 |
| − | 26 8 1 0 0 0 0 | + | 26 8 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 30 32 2 0 0 0 0 | + | 30 32 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUAPt001 | + | ID BMCCPUAPt001 |
| − | NAME (2,3-Dihydroxy-benzoyl)adenylic acid | + | NAME (2,3-Dihydroxy-benzoyl)adenylic acid |
| − | FORMULA C17H18N5O10P | + | FORMULA C17H18N5O10P |
| − | EXACTMASS 483.0791 | + | EXACTMASS 483.0791 |
| − | AVERAGEMASS 483.3262 | + | AVERAGEMASS 483.3262 |
| − | SMILES Oc(c4)c(O)c(cc4)C(=O)OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 | + | SMILES Oc(c4)c(O)c(cc4)C(=O)OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04030 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04030 |
M END | M END | ||
| − | |||
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
6.3903 2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2858 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0948 4.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0084 4.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1129 3.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3039 2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5813 2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6859 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6678 2.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3723 4.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9903 5.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1007 -5.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2347 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2347 -3.9704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1007 -3.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9667 -3.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9667 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7099 -3.3013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3031 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3086 -2.4923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8327 -5.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6395 -1.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6450 -1.8537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2382 -0.9401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9814 -0.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8768 0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1450 -2.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -0.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8474 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.2188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
7 9 2 0 0 0 0
7 8 1 0 0 0 0
1 7 1 0 0 0 0
2 10 1 0 0 0 0
3 11 1 0 0 0 0
12 17 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
16 17 1 0 0 0 0
16 15 2 0 0 0 0
15 20 1 0 0 0 0
20 19 1 0 0 0 0
18 19 2 0 0 0 0
18 16 1 0 0 0 0
17 21 1 0 0 0 0
23 22 1 0 0 0 0
22 29 1 1 0 0 0
25 29 1 1 0 0 0
24 25 1 0 0 0 0
24 23 1 0 0 0 0
25 26 1 0 0 0 0
22 20 1 0 0 0 0
24 28 1 6 0 0 0
23 27 1 6 0 0 0
26 8 1 0 0 0 0
28 30 1 0 0 0 0
30 32 2 0 0 0 0
30 31 1 0 0 0 0
30 33 1 0 0 0 0
S SKP 7
ID BMCCPUAPt001
NAME (2,3-Dihydroxy-benzoyl)adenylic acid
FORMULA C17H18N5O10P
EXACTMASS 483.0791
AVERAGEMASS 483.3262
SMILES Oc(c4)c(O)c(cc4)C(=O)OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04030
M END
