Mol:BMACIDCAm002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 19 0 0 1 0 0 0 0 0999 V2000 | + | 19 19 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.7365 -2.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7365 -2.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9275 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9275 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1185 -2.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1185 -2.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4275 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4275 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4275 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4275 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8397 -0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8397 -0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8452 -0.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8452 -0.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.9497 -1.8619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9497 -1.8619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8506 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8506 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7406 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7406 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8271 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8271 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7226 1.5284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7226 1.5284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5316 2.1162 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 4.5316 2.1162 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4271 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4271 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2629 -0.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2629 -0.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4439 -1.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4439 -1.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7045 2.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7045 2.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 9 1 6 0 0 0 | + | 7 9 1 6 0 0 0 |
| − | 9 16 2 0 0 0 0 | + | 9 16 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 6 4 1 0 0 0 0 | + | 6 4 1 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 7 10 1 1 0 0 0 | + | 7 10 1 1 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 13 19 2 0 0 0 0 | + | 13 19 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 14 1 4 0 0 0 | + | 12 14 1 4 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACIDCAm002 | + | ID BMACIDCAm002 |
| − | NAME 2-[3-Carboxy-3-(methyl-ammonio)-propyl]-L-histidine | + | NAME 2-[3-Carboxy-3-(methyl-ammonio)-propyl]-L-histidine |
| − | FORMULA C11H19N4O4 | + | FORMULA C11H19N4O4 |
| − | EXACTMASS 271.1406 | + | EXACTMASS 271.1406 |
| − | AVERAGEMASS 271.2931 | + | AVERAGEMASS 271.2931 |
| − | SMILES C[NH2+1]C(CC[C@](N)(C(O)=O)Cc(c1)ncn1)C(O)=O | + | SMILES C[NH2+1]C(CC[C@](N)(C(O)=O)Cc(c1)ncn1)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04692 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04692 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
7.7365 -2.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9275 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1185 -2.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4275 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4275 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8397 -0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8452 -0.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9497 -1.8619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8506 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7406 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8271 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 1.5284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8090 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 2.1162 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.4271 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2629 -0.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4439 -1.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7045 2.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 8 1 0 0 0 0
7 9 1 6 0 0 0
9 16 2 0 0 0 0
7 6 1 0 0 0 0
4 3 1 0 0 0 0
4 5 2 0 0 0 0
3 2 1 0 0 0 0
5 1 1 0 0 0 0
2 1 2 0 0 0 0
6 4 1 0 0 0 0
9 17 1 0 0 0 0
7 10 1 1 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 18 1 0 0 0 0
13 19 2 0 0 0 0
12 13 1 0 0 0 0
12 14 1 4 0 0 0
14 15 1 0 0 0 0
S SKP 7
ID BMACIDCAm002
NAME 2-[3-Carboxy-3-(methyl-ammonio)-propyl]-L-histidine
FORMULA C11H19N4O4
EXACTMASS 271.1406
AVERAGEMASS 271.2931
SMILES C[NH2+1]C(CC[C@](N)(C(O)=O)Cc(c1)ncn1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04692
M END
