Mol:BMACIDCAm001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 18 0 0 1 0 0 0 0 0999 V2000 | + | 18 18 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.3090 0.8820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 0.8820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -0.6568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -0.6568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3090 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3090 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 -0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 -0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3122 0.2911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.3122 0.2911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.0554 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0554 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6431 1.0342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6431 1.0342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9814 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9814 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9595 -0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9595 -0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6286 -0.9873 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.6286 -0.9873 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 8.6068 -0.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6068 -0.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3196 -1.9384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3196 -1.9384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8475 1.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8475 1.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0064 0.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0064 0.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9158 0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9158 0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2759 -1.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2759 -1.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7 9 1 6 0 0 0 | + | 7 9 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 16 2 0 0 0 0 | + | 8 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 |
| − | 8 15 1 0 0 0 0 | + | 8 15 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 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 13 18 2 0 0 0 0 | + | 13 18 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 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACIDCAm001 | + | ID BMACIDCAm001 |
| − | NAME 2-(3-Carboxy-3-amino-propyl)-L-histidine | + | NAME 2-(3-Carboxy-3-amino-propyl)-L-histidine |
| − | FORMULA C10H16N4O4 | + | FORMULA C10H16N4O4 |
| − | EXACTMASS 256.1171 | + | EXACTMASS 256.1171 |
| − | AVERAGEMASS 256.2586 | + | AVERAGEMASS 256.2586 |
| − | SMILES OC(=O)C(N)CC[C@](N)(C(O)=O)Cc(c1)ncn1 | + | SMILES OC(=O)C(N)CC[C@](N)(C(O)=O)Cc(c1)ncn1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04441 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04441 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 18 0 0 1 0 0 0 0 0999 V2000
2.3090 0.8820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -0.6568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 0.2911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0554 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6431 1.0342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9814 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9595 -0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6286 -0.9873 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.6068 -0.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3196 -1.9384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8475 1.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0064 0.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9158 0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2759 -1.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 9 1 6 0 0 0
7 8 1 0 0 0 0
8 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
8 15 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 17 1 0 0 0 0
13 18 2 0 0 0 0
12 13 1 0 0 0 0
12 14 1 4 0 0 0
S SKP 7
ID BMACIDCAm001
NAME 2-(3-Carboxy-3-amino-propyl)-L-histidine
FORMULA C10H16N4O4
EXACTMASS 256.1171
AVERAGEMASS 256.2586
SMILES OC(=O)C(N)CC[C@](N)(C(O)=O)Cc(c1)ncn1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04441
M END
