Mol:BMAXS3PHm001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
8.0622 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -2.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
1 2 1 0 0 0 0
2 4 1 6 0 0 0
2 3 1 0 0 0 0
3 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
17 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 10 1 0 0 0 0
8 9 2 0 0 0 0
10 18 1 0 0 0 0
18 19 1 0 0 0 0
18 21 2 0 0 0 0
18 20 1 0 0 0 0
S SKP 7
ID BMAXS3PHm001
NAME (2R) -2-Amino-3- [2- [ [amino- (phosphonoamino) methylidene] amino] ethoxy-hydroxyphosphoryl] oxypropanoic acid
CAS_RN 25540-15-2
FORMULA C6H16N4O9P2
EXACTMASS 350.0392
AVERAGEMASS 350.1603
SMILES OC(=O)[C@H](N)COP(O)(=O)OCCNC(=N)NP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02855
M END
