-OEChem-07221113212D

 10  9  0     0  0  0  0  0  0999 V2000
   31.2708  -16.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3949  -18.0919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8265  -17.4537    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   27.9333  -18.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0457  -17.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2708  -17.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1640  -18.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3159  -18.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8148  -15.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2631  -16.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
4408

> <PUBCHEM_SUBSTANCE_VERSION>
8

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01181

> <PUBCHEM_SUBSTANCE_COMMENT>
ChEBI: 1941
PDB-CCD: NM2
3DMET: B00256
NIKKAJI: J38.536K
Is a reactant or product of enzyme EC 1.2.1.3
Is a reactant or product of enzyme EC 1.2.1.47
Is a reactant or product of enzyme EC 1.14.11.1

> <PUBCHEM_SUBSTANCE_SYNONYM>
4-Trimethylammoniobutanoate
C01181

> <PUBCHEM_XREF_EXT_ID>
C01181

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01181

> <PUBCHEM_CID_ASSOCIATIONS>
134  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$