Mol:BMMCPYCTq002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 1 0 0 0 0 0999 V2000
5.4432 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -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
5.4432 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -2.6260 0.0000 N 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
5.4432 -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 0 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
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
2.8621 4.1260 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
11 12 1 0 0 0 0
11 17 1 1 0 0 0
14 17 1 1 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 1 1 0 0 0 0
13 16 1 6 0 0 0
15 18 1 0 0 0 0
3 4 2 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
2 7 2 0 0 0 0
4 8 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 22 1 0 0 0 0
19 21 2 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 7
ID BMMCPYCTq002
NAME [(2R,3S,5R) -5- [4-Amino-5- (hydroxymethyl) -2-oxopyrimidin-1-yl] -3-hydroxyoxolan-2-yl] methyl dihydrogen phosphate
CAS_RN 13009-95-5
FORMULA C10H16N3O8P
EXACTMASS 337.0675
AVERAGEMASS 337.2232
SMILES OCC(=C1)C(N)=NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03997
M END
