Mol:BMAAS5CAe005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
2 6 1 6 0 0 0
1 9 1 0 0 0 0
5 8 2 0 0 0 0
1 10 2 0 0 0 0
5 4 1 0 0 0 0
9 11 1 0 0 0 0
3 2 1 0 0 0 0
11 12 1 0 0 0 0
7 5 1 0 0 0 0
11 13 1 0 0 0 0
2 1 1 0 0 0 0
11 14 2 0 0 0 0
S SKP 7
ID BMAAS5CAe005
NAME (4S) -4-Amino-5-oxo-5-phosphonooxypentanoic acid
CAS_RN 872984-18-4
FORMULA C5H10NO7P
EXACTMASS 227.0194
AVERAGEMASS 227.1092
SMILES N[C@@H](CCC(O)=O)C(=O)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05765
M END
