-OEChem-02171214062D

 24 25  0     1  0  0  0  0  0999 V2000
   24.3266  -19.3466    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   26.7498  -15.1468    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   29.1672  -22.1483    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   31.5903  -17.9486    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   26.7440  -17.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5903  -20.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4628  -13.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2513  -15.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6802  -17.2496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5324  -17.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9498  -18.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -17.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5324  -15.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1093  -15.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3788  -20.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1672  -20.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3788  -18.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1093  -17.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -15.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9498  -20.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1672  -17.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8919  -15.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6802  -15.8517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.4628  -15.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 24  2  0  0  0  0
  8 24  1  0  0  0  0
 23  9  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
4950

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01829

> <PUBCHEM_SUBSTANCE_COMMENT>
Same as: <a href="http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=96024815">D08125</a>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00350+C01829">map00350</a> Tyrosine metabolism
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map04080+C01829">map04080</a> Neuroactive ligand-receptor interaction
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map04976+C01829">map04976</a> Bile secretion
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map05320+C01829">map05320</a> Autoimmune thyroid disease
Is a reactant of enzyme EC: 1.11.1.8
Is a reactant of enzyme EC: 1.97.1.10
Is a reactant of enzyme EC: 1.97.1.11

> <PUBCHEM_SUBSTANCE_SYNONYM>
3,5,3'5'-Tetraiodo-L-thyronine
51-48-9
C01829
L-Thyroxine
Levothyroxin
O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine
T4

> <PUBCHEM_GENERIC_REGISTRY_NAME>
51-48-9

> <PUBCHEM_XREF_EXT_ID>
C01829

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C01829

> <PUBCHEM_CID_ASSOCIATIONS>
5819  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
23  9  6

$$$$