Mol:BMMCPYURe006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
3.7321 -1.4397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.4397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.4397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2731 0.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9641 1.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9641 1.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3763 1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 -0.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5519 1.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 0.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7831 2.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1953 3.6307 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.3863 3.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0043 4.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6075 4.4397 0.0000 O 0 0 0 0 0 0 0 0 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 8 2 0 0 0 0
2 7 2 0 0 0 0
5 9 1 0 0 0 0
12 11 1 0 0 0 0
11 18 1 6 0 0 0
14 18 1 6 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
14 15 1 0 0 0 0
11 10 1 0 0 0 0
13 17 1 1 0 0 0
12 16 1 1 0 0 0
15 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
6 10 1 0 0 0 0
S SKP 7
ID BMMCPYURe006
NAME 5-Amino-6-(5'-phospho-ribosylamino)-uracil
FORMULA C9H15N4O9P
EXACTMASS 354.0576
AVERAGEMASS 354.2107
SMILES O=C(N1)NC(N[C@H](O2)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)2)=C(N)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01268
M END
</pre>
