Mol:BMAXDP--0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
11 6 1 0 0 0 0
5 7 1 0 0 0 0
13 12 1 0 0 0 0
7 8 1 0 0 0 0
2 6 1 1 0 0 0
8 9 1 0 0 0 0
14 13 1 0 0 0 0
11 17 2 0 0 0 0
2 3 1 0 0 0 0
8 10 2 0 0 0 0
12 11 1 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
1 15 2 0 0 0 0
1 16 1 0 0 0 0
S SKP 7
ID BMAXDP--0003
NAME (2S) -2- (3-Aminopropanoylamino) -5- (diaminomethylideneamino) pentanoic acid
CAS_RN 100869-33-8
FORMULA C9H19N5O3
EXACTMASS 245.1487
AVERAGEMASS 245.279
SMILES NCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05340
M END
