Mol:BMSUM5Ae--04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
3.2601 -0.7185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9511 -1.6696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7601 -2.2574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5691 -1.6696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5691 -1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6723 0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -3.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 -0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 -2.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0790 1.0040 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.9926 0.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8980 2.7266 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 2.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 3.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3102 3.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -2.5356 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -3.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0691 -2.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -1.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1655 1.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 9 1 6 0 0 0
4 3 1 0 0 0 0
1 9 1 6 0 0 0
3 2 1 0 0 0 0
1 2 1 0 0 0 0
4 5 1 0 0 0 0
5 10 1 0 0 0 0
1 6 1 0 0 0 0
2 7 1 1 0 0 0
3 8 1 1 0 0 0
10 18 1 0 0 0 0
18 19 1 0 0 0 0
18 21 1 0 0 0 0
18 20 2 0 0 0 0
6 11 1 0 0 0 0
11 13 1 0 0 0 0
11 12 1 0 0 0 0
11 22 2 0 0 0 0
13 14 1 0 0 0 0
14 16 1 0 0 0 0
14 15 1 0 0 0 0
14 17 2 0 0 0 0
S SKP 7
ID BMSUM5Ae--04
NAME D-5-Phospho-ribosyl 1-diphosphate
FORMULA C5H13O14P3
EXACTMASS 389.9518
AVERAGEMASS 390.0696
SMILES O[C@H]([C@@H](COP(O)(O)=O)1)[C@@H](O)[C@@H](O1)OP(O)(=O)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00119
M END
</pre>
