-OEChem-03131213522D

 18 17  0     1  0  0  0  0  0999 V2000
   -1.0717   -0.2063    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842    0.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6592   -0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0301    0.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7445    0.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.6187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.2227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126523213

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB00370

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Amino-3-(phosphohydroxy)propan-2-one
1-amino-propan-2-one-3-phosphate
2-Amino-3-phosphonopropanoate
2-Amino-3-phosphonopropanoic acid
2-Amino-3-phosphonopropionate
2-Amino-3-phosphonopropionic acid
3-Amino-2-oxopropyl phosphate
D-Alanyl-phosphate
Glyphosate
HMDB00370
Phosphonoalanine

> <PUBCHEM_XREF_EXT_ID>
HMDB00370

> <PUBCHEM_PUBMED_ID>
890917
1884912
3226127
11390221
12209170
14700526
16357597

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB00370

> <PUBCHEM_CID_ASSOCIATIONS>
3857  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$