-OEChem-02171214062D

 24 25  0     1  0  0  0  0  0999 V2000
 -412.3640  243.9820    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
 -119.0560 -264.0570    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
 -705.6920  413.3280    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
 -999.0000  -94.7108    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
 -412.3640  -94.7108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -999.0000  243.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  467.5810  413.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  614.2240  159.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  320.9170  -10.0376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 -265.7200  -10.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -559.0280  -10.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -265.7200  159.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -119.0560  -94.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6086  159.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -852.3360  159.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -705.6920  243.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -852.3360  -10.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -119.0560  243.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6086  -10.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -559.0280  159.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -705.6920  -94.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.2520  243.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  320.9170  159.3090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  467.5810  243.9820    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  1  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>
2899

> <PUBCHEM_SUBSTANCE_VERSION>
11

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
L-THYROXINE

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Hormones, Iodoaromtic-Compounds
Is a product of enzyme EC 1.97.1.11
Is a product of enzyme EC 1.97.1.10
Is a reactant of enzyme EC 2.4.1.17
Is a reactant of enzyme EC 2.8.2.1

> <PUBCHEM_SUBSTANCE_SYNONYM>
3,3',5,5'-tetraiodo-L-thyronine
3,5,3',5'-tetraiodo-L-thyronine
4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine
51-48-9
L-T4
L-thyroxine
O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
T4
levothyroxin
levothyroxine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
51-48-9

> <PUBCHEM_XREF_EXT_ID>
L-THYROXINE

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=L-THYROXINE

> <PUBCHEM_CID_ASSOCIATIONS>
5819  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
23  9  5

$$$$