Mol:BMMCIZ--S534
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 28 0 1 0 999 V2000
1.1207 -1.4621 0.0000 C 0 0 2 0 0 0 0 0 0
1.7310 -0.4414 0.0000 N 0 0 3 0 0 0 0 0 0
0.5103 -1.0241 0.0000 O 0 0 0 0 0 0 0 0 0
0.8897 -2.1793 0.0000 C 0 0 1 0 0 0 0 0 0
1.0862 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0
2.3828 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0
-0.0897 -1.4621 0.0000 C 0 0 1 0 0 0 0 0 0
0.1379 -2.1793 0.0000 C 0 0 1 0 0 0 0 0 0
1.3310 -2.7862 0.0000 O 0 0 0 0 0 0 0 0 0
1.0862 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0
0.4345 -0.4379 0.0000 N 0 0 0 0 0 0 0 0 0
2.3828 0.6828 0.0000 N 0 0 0 0 0 0 0 0 0
-0.8034 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0
-0.3069 -2.7828 0.0000 O 0 0 0 0 0 0 0 0 0
0.5552 1.2138 0.0000 N 0 0 0 0 0 0 0 0 0
-0.9552 -0.4931 0.0000 O 0 0 0 0 0 0 0 0 0
0.5552 1.9621 0.0000 C 0 0 0 0 0 0 0 0 0
-1.7103 -0.4897 0.0000 P 0 0 3 0 0 0 0 0 0
-0.0931 2.3379 0.0000 C 0 0 0 0 0 0 0 0 0
1.2034 2.3414 0.0000 O 0 0 0 0 0 0 0 0 0
-2.4586 -0.4897 0.0000 O 0 0 0 0 0 0 0 0 0
-1.7103 0.2586 0.0000 O 0 0 0 0 0 0 0 0 0
-1.7138 -1.2414 0.0000 O 0 0 0 0 0 0 0 0 0
-0.7414 1.9621 0.0000 C 0 0 0 0 0 0 0 0 0
-1.3931 2.3379 0.0000 C 0 0 0 0 0 0 0 0 0
-1.3897 3.0862 0.0000 N 0 0 0 0 0 0 0 0 0
-2.0414 1.9621 0.0000 O 0 0 0 0 0 0 0 0 0
1 2 1 1 0 0
1 3 1 0 0 0
1 4 1 0 0 0
2 5 1 0 0 0
2 6 1 0 0 0
3 7 1 0 0 0
4 8 1 0 0 0
4 9 1 6 0 0
5 10 2 0 0 0
5 11 1 0 0 0
6 12 2 0 0 0
7 13 1 1 0 0
8 14 1 6 0 0
10 15 1 0 0 0
13 16 1 0 0 0
15 17 1 0 0 0
16 18 1 0 0 0
17 19 1 0 0 0
17 20 2 0 0 0
18 21 1 0 0 0
18 22 1 0 0 0
18 23 2 0 0 0
19 24 1 0 0 0
24 25 1 0 0 0
25 26 1 0 0 0
25 27 2 0 0 0
7 8 1 0 0 0
10 12 1 0 0 0
S SKP 7
ID BMMCIZ--S534
NAME [(2R,3S,4R,5R) -5- [5-Amino-4- [(4-amino-4-oxobutanoyl) amino] imidazol-1-yl] -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate
CAS_RN 958733-00-1
FORMULA C12H20N5O9P
EXACTMASS 409.099863773
AVERAGEMASS 409.289261
SMILES NC(=O)CCC(=O)Nc(n2)c(N)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
