Mol:BMMCPYXXe003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
5.4432 4.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 3.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 2.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 3.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7112 4.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 2.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 0.6260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6637 1.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 0.2896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4945 -0.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0878 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 2.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 -0.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -3.2125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3553 -2.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1824 -3.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8621 -4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 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 8 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 22 1 0 0 0 0
20 23 2 0 0 0 0
4 8 1 0 0 0 0
2 7 1 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
S SKP 7
ID BMMCPYXXe003
NAME [(2R,3S,4R,5R) -5- [(2,5-Diamino-4-oxo-1H-pyrimidin-6-yl) amino] -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate
CAS_RN 73477-63-1
FORMULA C9H16N5O8P
EXACTMASS 353.0736
AVERAGEMASS 353.226
SMILES Nc(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+C01304
M END
