-OEChem-03261011582D

 10  9  0     1  0  0  0  0  0999 V2000
    2.0621    2.0035    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    3.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621    2.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -3.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6379   -3.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    0.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3828   -2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
7979

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C05672

> <PUBCHEM_SUBSTANCE_COMMENT>
3DMET: B05092
Is a reactant or product of enzyme EC 2.6.1.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Amino-3-phosphonopropanoate
C05672
Phosphonoalanine

> <PUBCHEM_XREF_EXT_ID>
C05672

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C05672

> <PUBCHEM_CID_ASSOCIATIONS>
3857  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$