Mol:BMMCPYURe005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
9 8 1 0 0 0 0
10 16 1 1 0 0 0
11 17 1 6 0 0 0
12 18 1 1 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 23 1 0 0 0 0
20 22 2 0 0 0 0
5 4 1 0 0 0 0
5 6 2 0 0 0 0
6 1 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 15 2 0 0 0 0
2 14 2 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
S SKP 7
ID BMMCPYURe005
NAME [5- [(5-Amino-2,4-dioxo-1H-pyrimidin-6-yl) amino] -2,3,4-trihydroxypentyl] dihydrogen phosphate
CAS_RN 71491-01-5
FORMULA C9H17N4O9P
EXACTMASS 356.0733
AVERAGEMASS 356.2266
SMILES O=C(N1)NC(NC[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)=C(N)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04454
M END
