Mol:BMFYB2AMS501
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
2.9945 3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.8194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 2.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 1.4104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7469 1.4104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0559 0.4594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2469 -0.1284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2469 -1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 1.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4379 0.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0070 0.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3347 2.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3809 -1.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3809 -2.6284 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.3809 -2.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3809 -2.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3809 -3.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 11 2 0 0 0 0
7 6 1 0 0 0 0
6 12 1 1 0 0 0
9 12 1 1 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
9 10 1 0 0 0 0
6 5 1 0 0 0 0
8 13 1 6 0 0 0
7 14 1 6 0 0 0
10 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 2 0 0 0 0
2 1 1 0 0 0 0
3 2 1 0 0 0 0
1 20 2 0 0 0 0
S SKP 7
NAME 2- [ [Amino- (phosphonoamino) methylidene] amino] acetic acid
CAS_RN 5115-19-5
ID BMFYB2AMS501
FORMULA C8H16N3O8P
EXACTMASS 313.06750101299997
AVERAGEMASS 313.201821
SMILES O=CNCC(=N)N[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
SMILES O=CNCC(=N)N[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
