Mol:BMAXS6AMt004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 1 0 0 0 0 0999 V2000
2.8660 5.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.5633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 3.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3712 -6.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1802 -5.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8712 -4.5245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.9367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2532 -4.5245 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 -5.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -5.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8712 -4.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 6.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1313 -5.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18 19 1 0 0 0 0
16 11 1 1 0 0 0
19 20 1 0 0 0 0
11 10 1 0 0 0 0
20 21 1 0 0 0 0
10 9 1 0 0 0 0
21 24 2 0 0 0 0
21 8 1 0 0 0 0
15 14 1 1 0 0 0
8 6 1 0 0 0 0
14 13 1 0 0 0 0
6 5 1 0 0 0 0
12 13 1 0 0 0 0
5 4 1 0 0 0 0
12 16 1 0 0 0 0
4 3 1 0 0 0 0
10 25 2 0 0 0 0
3 2 1 0 0 0 0
12 17 1 1 0 0 0
2 1 1 0 0 0 0
15 16 1 0 0 0 0
2 7 1 1 0 0 0
17 18 1 0 0 0 0
1 22 1 0 0 0 0
15 9 1 0 0 0 0
1 23 2 0 0 0 0
S SKP 7
ID BMAXS6AMt004
NAME N6-D-Biotinyl-L-lysine
FORMULA C16H28N4O4S
EXACTMASS 372.1831
AVERAGEMASS 372.484
SMILES OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05552
M END
</pre>
