Mol:BMMCPYURS623
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 46 0 0 1 0 0 0 0 0999 V2000
5.4641 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -3.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -4.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1500 4.9604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1445 4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7323 5.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3255 6.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3310 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7432 5.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5512 3.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9133 7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2532 3.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 2.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9744 4.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3021 2.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8712 3.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.1125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3875 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -2.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
32 36 1 6 0 0 0
32 31 1 0 0 0 0
29 36 1 6 0 0 0
31 30 1 0 0 0 0
29 30 1 0 0 0 0
29 21 1 0 0 0 0
30 34 1 1 0 0 0
31 35 1 1 0 0 0
23 24 1 0 0 0 0
23 22 1 0 0 0 0
22 21 1 0 0 0 0
21 26 1 0 0 0 0
26 25 2 0 0 0 0
25 24 1 0 0 0 0
24 28 2 0 0 0 0
22 27 2 0 0 0 0
32 33 1 0 0 0 0
33 37 1 0 0 0 0
37 38 1 0 0 0 0
38 41 1 0 0 0 0
42 41 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
42 13 1 0 0 0 0
42 44 1 0 0 0 0
42 43 2 0 0 0 0
5 19 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 19 1 1 0 0 0
5 6 1 0 0 0 0
4 18 1 1 0 0 0
3 15 1 6 0 0 0
2 7 1 1 0 0 0
1 13 1 0 0 0 0
6 20 1 0 0 0 0
15 11 1 0 0 0 0
11 12 1 6 0 0 0
10 17 1 0 0 0 0
10 16 2 0 0 0 0
11 10 1 0 0 0 0
7 8 1 0 0 0 0
8 14 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCPYURS623
NAME UDP-N-acetylmuramic acid
FORMULA C20H31N3O19P2
EXACTMASS 679.1026
AVERAGEMASS 679.4164
SMILES OC[C@H]([C@@H](O)1)O[C@H](OP(O)(=O)OP(OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)N(C=2)C(NC(=O)C2)=O)(O)=O)[C@H](NC(C)=O)[C@H]1O[C@H](C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01050
M END
