Mol:BMSUM9Ue--01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
3.2321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.6160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.1160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4860 -1.2060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3520 -0.7060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2181 -1.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.6160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4860 -2.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3520 0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0841 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9501 -1.2060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
9.4501 -2.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4501 -0.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8161 -1.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 0 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 18 1 1 0 0 0
6 18 1 1 0 0 0
1 13 2 0 0 0 0
1 14 1 0 0 0 0
2 15 1 6 0 0 0
4 16 1 1 0 0 0
5 10 1 6 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 17 2 0 0 0 0
2 1 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 19 1 1 0 0 0
8 9 1 0 0 0 0
9 21 1 0 0 0 0
8 20 1 6 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 25 1 0 0 0 0
22 24 2 0 0 0 0
S SKP 7
ID BMSUM9Ue--01
NAME N-Acetyl-neuraminate 9-phosphate
FORMULA C11H20NO12P
EXACTMASS 389.0723
AVERAGEMASS 389.2498
SMILES CC(=O)N[C@H]([C@@H](O)1)[C@@H](O[C@@](O)(C(O)=O)C1)[C@H](O)[C@H](O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06241
M END
