-OEChem-01131113492D

 22 23  0     0  0  0  0  0  0999 V2000
   30.1435  -18.2775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.5379  -15.1978    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   33.1471  -15.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5379  -16.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.9288  -15.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5379  -13.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9113  -17.9677    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.2823  -20.0832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0784  -17.9677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7074  -20.0657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5073  -16.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8922  -16.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4978  -17.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7016  -17.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8579  -19.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4978  -19.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8390  -15.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2823  -17.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0784  -19.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8469  -15.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2005  -16.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8688  -20.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 19  2  0  0  0  0
  9 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  1   7   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
4319

> <PUBCHEM_SUBSTANCE_VERSION>
8

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01081

> <PUBCHEM_SUBSTANCE_COMMENT>
ChEBI: 9533
KNApSAcK: C00019628
PDB-CCD: TPS
3DMET: B00237
NIKKAJI: J221.489J
Is a reactant or product of enzyme EC 2.5.1.3
Is a reactant or product of enzyme EC 2.7.1.89
Is a reactant or product of enzyme EC 2.7.4.16
Is a reactant or product of enzyme EC 3.1.3.-
Is a reactant or product of enzyme EC 3.6.1.15

> <PUBCHEM_SUBSTANCE_SYNONYM>
C01081
TMP
Thiamin monophosphate
Thiamin phosphate
Thiamine monophosphate
Thiamine phosphate

> <PUBCHEM_XREF_EXT_ID>
C01081

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01081

> <PUBCHEM_CID_ASSOCIATIONS>
1131  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$