Mol:BMAXTP--i005
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 29 0 0 1 0 0 0 0 0999 V2000 | + | 30 29 0 0 1 0 0 0 0 0999 V2000 |
| − | -6.3132 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3132 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5987 0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5987 0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5987 1.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5987 1.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7924 -0.1935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7924 -0.1935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5059 0.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.5059 0.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.4963 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4963 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7949 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7949 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7799 -0.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7799 -0.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7771 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7771 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1226 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1226 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7674 2.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7674 2.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8354 -0.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.8354 -0.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5539 0.2137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5539 0.2137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8363 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8363 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1250 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1250 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9358 -0.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9358 -0.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1178 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1178 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1022 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1022 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1164 -2.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1164 -2.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5909 -1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5909 -1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6475 0.2468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.6475 0.2468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.3647 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3647 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6419 1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6419 1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3536 1.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3536 1.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0764 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0764 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7935 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7935 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8856 0.3118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8856 0.3118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6028 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6028 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6056 -0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6056 -0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3132 0.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3132 0.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 4 1 0 0 0 0 | + | 2 4 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 13 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 5 4 1 4 0 0 0 | + | 5 4 1 4 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 6 9 1 0 0 0 0 | + | 6 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 12 13 1 4 0 0 0 | + | 12 13 1 4 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 15 17 2 0 0 0 0 | + | 15 17 2 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 4 0 0 0 | + | 21 23 1 4 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXTP--i005 | + | ID BMAXTP--i005 |
| − | NAME Leupeptin | + | NAME Leupeptin |
| − | FORMULA C20H38N6O4 | + | FORMULA C20H38N6O4 |
| − | EXACTMASS 426.2954 | + | EXACTMASS 426.2954 |
| − | AVERAGEMASS 426.5537 | + | AVERAGEMASS 426.5537 |
| − | SMILES N(C(=O)[C@H](CC(C)C)NC(C)=O)[C@H](C(=O)N[C@H](C=O)CCCNC(N)=N)CC(C)C | + | SMILES N(C(=O)[C@H](CC(C)C)NC(C)=O)[C@H](C(=O)N[C@H](C=O)CCCNC(N)=N)CC(C)C |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01591 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01591 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 29 0 0 1 0 0 0 0 0999 V2000
-6.3132 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5987 0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5987 1.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7924 -0.1935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5059 0.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.4963 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7949 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7799 -0.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7771 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1226 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7674 2.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8354 -0.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5539 0.2137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8363 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1250 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9358 -0.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1178 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1022 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1164 -2.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5909 -1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6475 0.2468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3647 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6419 1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3536 1.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0764 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7935 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8856 0.3118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6028 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6056 -0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3132 0.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 4 1 0 0 0 0
2 3 2 0 0 0 0
5 6 1 0 0 0 0
13 7 1 0 0 0 0
7 5 1 0 0 0 0
5 4 1 4 0 0 0
7 8 2 0 0 0 0
6 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
12 13 1 4 0 0 0
12 14 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
12 15 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 4 0 0 0
23 24 2 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
28 29 1 0 0 0 0
28 30 2 0 0 0 0
27 28 1 0 0 0 0
S SKP 7
ID BMAXTP--i005
NAME Leupeptin
FORMULA C20H38N6O4
EXACTMASS 426.2954
AVERAGEMASS 426.5537
SMILES N(C(=O)[C@H](CC(C)C)NC(C)=O)[C@H](C(=O)N[C@H](C=O)CCCNC(N)=N)CC(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01591
M END
