Mol:KOX00539
From Metabolomics.JP
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| − | Copyright: ARM PROJECT http://www.metabolome.jp/ | + | Copyright: ARM PROJECT http://www.metabolome.jp/ |
| − | 37 39 0 0 1 0 0 0 0 0999 V2000 | + | 37 39 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.0000 -2.1289 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 | + | 2.0000 -2.1289 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 2.4067 -1.2153 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 2.4067 -1.2153 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 3.4013 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 -2.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 4.4752 -2.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 4.4752 -3.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 4.4752 -3.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 3.6092 -4.2980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 3.6092 -4.2980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 2.7431 -3.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 2.7431 -3.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 2.7431 -2.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -2.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6092 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0704 -0.5767 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 | + | 4.0704 -0.5767 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 |
| − | 3.7614 0.3744 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 3.7614 0.3744 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 2.7832 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1141 -0.1609 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 2.1141 -0.1609 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 2.4742 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4742 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4305 1.1175 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 | + | 4.4305 1.1175 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 5.4087 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4087 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7177 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7177 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0778 1.6527 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0 | + | 6.0778 1.6527 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0 |
| − | 5.7688 2.6038 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 | + | 5.7688 2.6038 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 |
| − | 6.4379 3.3469 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 6.4379 3.3469 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 7.4160 3.1390 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 | + | 7.4160 3.1390 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 |
| − | 6.1289 4.2980 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 | + | 6.1289 4.2980 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 |
| − | 8.2101 1.1995 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 | + | 8.2101 1.1995 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 8.8793 1.9426 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8793 1.9426 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1361 2.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1361 2.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5484 2.6858 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 9.5484 2.6858 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 9.6224 1.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6224 1.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5735 1.5825 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 10.5735 1.5825 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 11.3166 2.2516 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 11.3166 2.2516 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 12.2677 1.9426 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 12.2677 1.9426 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 12.4756 0.9645 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0 | + | 12.4756 0.9645 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0 |
| − | 11.7324 0.2954 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0 | + | 11.7324 0.2954 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0 |
| − | 11.9404 -0.6828 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 | + | 11.9404 -0.6828 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 |
| − | 10.7814 0.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7814 0.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1087 3.2298 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 11.1087 3.2298 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 13.0108 2.6118 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 13.0108 2.6118 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 13.4756 0.9645 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 13.4756 0.9645 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 28 34 1 1 0 0 0 | + | 28 34 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 6 0 0 0 | + | 32 33 1 6 0 0 0 |
| − | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
| − | 29 35 1 6 0 0 0 | + | 29 35 1 6 0 0 0 |
| − | 30 36 1 6 0 0 0 | + | 30 36 1 6 0 0 0 |
| − | 31 37 1 1 0 0 0 | + | 31 37 1 1 0 0 0 |
| − | 27 24 1 0 0 0 0 | + | 27 24 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 18 23 1 6 0 0 0 | + | 18 23 1 6 0 0 0 |
| − | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 14 2 0 0 0 0 | + | 12 14 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 8 1 1 0 0 0 0 | + | 8 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 2 0 0 0 0 | + | 7 6 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 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | S SKP | + | S SKP 8 |
| − | CAS_RN 36357-77-4 | + | CAS_RN 36357-77-4 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00563 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00563 |
| − | NAME Phosphoramido | + | NAME Phosphoramido |
| + | ID KOX00539 | ||
| + | FORMULA C23H34N3O10P | ||
| + | EXACTMASS 543.1981808329999 | ||
| + | AVERAGEMASS 543.504041 | ||
| + | SMILES CC(C)C[C@@H](C(=O)N[C@H](C(O)=O)Cc(c2)c(c3)c(ccc3)n2)NP(O)(=O)O[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)1 | ||
M END | M END | ||
Latest revision as of 14:18, 11 June 2009
Copyright: ARM PROJECT http://www.metabolome.jp/
37 39 0 0 1 0 0 0 0 0999 V2000
2.0000 -2.1289 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0
2.4067 -1.2153 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
3.4013 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -2.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
4.4752 -3.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
3.6092 -4.2980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
2.7431 -3.7980 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
2.7431 -2.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 -0.5767 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0
3.7614 0.3744 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
2.7832 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 -0.1609 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
2.4742 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4305 1.1175 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0
5.4087 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7177 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0778 1.6527 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0
5.7688 2.6038 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0
6.4379 3.3469 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
7.4160 3.1390 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0
6.1289 4.2980 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0
8.2101 1.1995 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0
8.8793 1.9426 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.1361 2.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5484 2.6858 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
9.6224 1.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5735 1.5825 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
11.3166 2.2516 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
12.2677 1.9426 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
12.4756 0.9645 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0
11.7324 0.2954 0.0000 C 0 0 2 1 0 0 0 0 0 0 0 0
11.9404 -0.6828 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0
10.7814 0.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1087 3.2298 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
13.0108 2.6118 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
13.4756 0.9645 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
32 34 1 0 0 0 0
28 34 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 6 0 0 0
28 27 1 0 0 0 0
29 35 1 6 0 0 0
30 36 1 6 0 0 0
31 37 1 1 0 0 0
27 24 1 0 0 0 0
24 23 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
18 23 1 6 0 0 0
18 16 1 0 0 0 0
18 19 1 0 0 0 0
16 15 1 0 0 0 0
16 17 2 0 0 0 0
11 15 1 1 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
11 12 1 0 0 0 0
11 10 1 0 0 0 0
10 3 1 0 0 0 0
2 3 2 0 0 0 0
8 1 1 0 0 0 0
1 2 1 0 0 0 0
3 9 1 0 0 0 0
8 9 2 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 9 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
S SKP 8
CAS_RN 36357-77-4
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00563
NAME Phosphoramido
ID KOX00539
FORMULA C23H34N3O10P
EXACTMASS 543.1981808329999
AVERAGEMASS 543.504041
SMILES CC(C)C[C@@H](C(=O)N[C@H](C(O)=O)Cc(c2)c(c3)c(ccc3)n2)NP(O)(=O)O[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)1
M END
