Mol:BMMCPYURS620
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 42 0 0 1 0 0 0 0 0999 V2000
5.1646 2.8603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.5714 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9836 4.5829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9890 4.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5823 3.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5878 3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5659 3.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9726 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3848 5.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9671 4.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3903 5.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 5.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 2.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -2.6010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1333 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1333 -4.1010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -4.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8653 -4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8653 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2673 -2.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -5.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -1.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.8083 -1.0132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4993 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4993 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9115 0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8083 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0871 0.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1903 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9170 0.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3292 1.4514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.5202 0.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1382 2.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 2.1559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8514 1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6424 3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28 32 1 6 0 0 0
28 27 1 0 0 0 0
25 32 1 6 0 0 0
27 26 1 0 0 0 0
25 26 1 0 0 0 0
25 17 1 0 0 0 0
26 30 1 1 0 0 0
27 31 1 1 0 0 0
19 20 1 0 0 0 0
19 18 1 0 0 0 0
18 17 1 0 0 0 0
17 22 1 0 0 0 0
22 21 2 0 0 0 0
21 20 1 0 0 0 0
20 24 2 0 0 0 0
18 23 2 0 0 0 0
28 29 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
34 37 1 0 0 0 0
38 37 1 0 0 0 0
34 36 1 0 0 0 0
34 35 2 0 0 0 0
38 7 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
5 14 1 6 0 0 0
1 14 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 7 1 4 0 0 0
2 8 1 1 0 0 0
3 12 1 6 0 0 0
4 13 1 1 0 0 0
6 16 1 0 0 0 0
6 15 2 0 0 0 0
5 6 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCPYURS620
NAME UDP-N-acetyl-D-glucosamino-uronic acid
FORMULA C17H25N3O18P2
EXACTMASS 621.0608
AVERAGEMASS 621.3373
SMILES CC(=O)N[C@H]([C@@H](O)3)C(O[C@H](C(O)=O)[C@@H](O)3)OP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04573
M END
