Mol:BMMCIZ--S528
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 1 0 0 0 0 0999 V2000
7.4931 -0.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1841 -1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9931 -2.0937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8021 -1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4931 -0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7532 -1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4963 -1.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0809 0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9053 0.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2143 1.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4053 1.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5963 1.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6453 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9611 -2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 1.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9053 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.1542 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 0.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 9 1 0 0 0 0
9 17 1 6 0 0 0
12 17 1 6 0 0 0
12 11 1 0 0 0 0
11 10 1 0 0 0 0
12 13 1 0 0 0 0
9 1 1 0 0 0 0
11 16 1 1 0 0 0
10 15 1 1 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 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
1 5 1 0 0 0 0
5 8 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
6 14 2 0 0 0 0
S SKP 6
NAME 1- (5'-Phosphoribosyl) -5-amino-4-imidazolecarboxamide
ID BMMCIZ--S528
FORMULA C9H15N4O8P
EXACTMASS 338.062749986
AVERAGEMASS 338.21132100000005
SMILES NC(=O)c(n2)c(N)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
