Mol:BMMCIZ--e016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
3.8968 -0.9531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4901 -0.0396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0779 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 -1.7622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -3.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 -1.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 -1.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4955 0.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6711 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2589 2.4920 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.0679 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4499 3.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8467 3.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 4 1 0 0 0 0
8 1 1 0 0 0 0
1 9 1 6 0 0 0
1 2 1 0 0 0 0
2 10 1 1 0 0 0
2 3 1 0 0 0 0
3 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
S SKP 7
ID BMMCIZ--e016
NAME [(2R,3S) -2,3-Dihydroxy-3- (1H-imidazol-5-yl) propyl] dihydrogen phosphate
CAS_RN 36244-87-8
FORMULA C6H11N2O6P
EXACTMASS 238.0354
AVERAGEMASS 238.1351
SMILES O[C@@H](COP(O)(O)=O)[C@H](O)c(c1)ncn1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04666
M END
