Mol:BMACIDCAm001
From Metabolomics.JP
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
