Mol:BMSUM6Ne--06
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
4.5981 0.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8170 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0
5.9641 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.6830 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0
7.5622 -2.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 18 1 6 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 18 1 0 0 0 0
5 6 1 0 0 0 0
1 10 1 4 0 0 0
3 16 1 6 0 0 0
4 17 1 1 0 0 0
2 7 1 1 0 0 0
6 19 1 0 0 0 0
8 9 1 0 0 0 0
8 15 2 0 0 0 0
7 8 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
11 13 1 0 0 0 0
21 20 1 0 0 0 0
20 23 2 0 0 0 0
20 22 1 0 0 0 0
20 19 1 0 0 0 0
S SKP 7
ID BMSUM6Ne--06
NAME N-Acetyl-D-glucosamine 1,6-bisphosphate
FORMULA C8H17NO12P2
EXACTMASS 381.0225
AVERAGEMASS 381.1676
SMILES CC(=O)N[C@H]([C@@H](O)1)C(O[C@H](COP(O)(O)=O)[C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04461
M END
</pre>
