Mol:BMMCPYTYS609
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 1 0 0 0 0 0999 V2000
3.7321 -3.7420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -4.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -5.2420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -5.7420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -5.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4179 4.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4124 4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0002 4.8104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5935 5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5990 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0112 5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8192 3.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1813 6.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1922 6.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 3.2969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8301 3.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5211 2.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.7580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5701 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23 24 1 0 0 0 0
23 29 1 6 0 0 0
26 29 1 6 0 0 0
26 25 1 0 0 0 0
25 24 1 0 0 0 0
26 27 1 0 0 0 0
23 14 1 0 0 0 0
27 30 1 0 0 0 0
30 31 1 0 0 0 0
31 34 1 0 0 0 0
31 33 1 0 0 0 0
31 32 2 0 0 0 0
34 35 1 0 0 0 0
35 7 1 0 0 0 0
35 37 1 0 0 0 0
35 36 2 0 0 0 0
25 28 1 1 0 0 0
16 17 1 0 0 0 0
16 15 1 0 0 0 0
15 14 1 0 0 0 0
14 19 1 0 0 0 0
19 18 2 0 0 0 0
18 17 1 0 0 0 0
15 20 2 0 0 0 0
17 21 2 0 0 0 0
18 22 1 0 0 0 0
5 11 1 6 0 0 0
1 11 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
2 8 1 1 0 0 0
3 9 1 6 0 0 0
4 10 1 6 0 0 0
1 7 1 4 0 0 0
6 13 1 0 0 0 0
6 12 2 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMMCPYTYS609
NAME dTDP-D-galacturonic acid
FORMULA C16H24N2O17P2
EXACTMASS 578.055
AVERAGEMASS 578.3125
SMILES OC(=O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)C[C@@H]2N(C=3)C(=O)NC(=O)C(C)3
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03034
M END
