Mol:BMAAS4PH0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 6 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
2 3 1 0 0 0 0
4 8 2 0 0 0 0
4 9 1 0 0 0 0
3 4 1 0 0 0 0
1 7 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 13 1 0 0 0 0
10 12 1 0 0 0 0
S SKP 7
ID BMAAS4PH0001
NAME (2S) -2-Amino-4-oxo-4-phosphonooxybutanoic acid
CAS_RN 22138-53-0
FORMULA C4H8NO7P
EXACTMASS 213.0038
AVERAGEMASS 213.0826
SMILES N[C@@H](CC(=O)OP(O)(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03082
M END
