Mol:BMMCPYURS621
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 41 0 0 1 0 0 0 0 0999 V2000
4.5981 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -4.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2839 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8662 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4595 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4650 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8772 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6852 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0473 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6962 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3871 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1084 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4361 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0052 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.3301 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27 31 1 6 0 0 0
27 26 1 0 0 0 0
24 31 1 6 0 0 0
26 25 1 0 0 0 0
24 25 1 0 0 0 0
24 16 1 0 0 0 0
25 29 1 1 0 0 0
26 30 1 1 0 0 0
18 19 1 0 0 0 0
18 17 1 0 0 0 0
17 16 1 0 0 0 0
16 21 1 0 0 0 0
21 20 2 0 0 0 0
20 19 1 0 0 0 0
19 23 2 0 0 0 0
17 22 2 0 0 0 0
27 28 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
33 36 1 0 0 0 0
37 36 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
37 10 1 0 0 0 0
37 39 1 0 0 0 0
37 38 2 0 0 0 0
5 14 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 14 1 0 0 0 0
5 6 1 0 0 0 0
3 12 1 6 0 0 0
2 7 1 6 0 0 0
4 13 1 1 0 0 0
6 15 1 0 0 0 0
1 10 1 4 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
7 8 1 0 0 0 0
S SKP 7
ID BMMCPYURS621
NAME UDP-N-acetyl-D-mannosamine
FORMULA C17H27N3O17P2
EXACTMASS 607.0815
AVERAGEMASS 607.3538
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](NC(C)=O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2N(C=3)C(=O)NC(=O)C3
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01170
M END
