KEGG   COMPOUND: C03832Help
Entry
C03832                      Compound                               
Name
3,5,3'-Triiodothyropyruvate;
3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate
Formula
C15H9I3O5
Exact mass
649.7584
Mol weight
649.9424
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8y C    25.9000  -16.0300
            2   O2a O    24.7100  -16.7300
            3   C8y C    27.0900  -16.7300
            4   C8y C    25.9000  -14.6300
            5   C8y C    23.4500  -17.4300
            6   C8x C    28.3500  -16.0300
            7   X   I    27.0900  -18.1300
            8   C8x C    27.0900  -13.9300
            9   X   I    24.7100  -13.9300
            10  C8x C    22.2600  -16.7300
            11  C8x C    23.4500  -18.8300
            12  C8y C    28.3500  -14.6300
            13  C8y C    21.0700  -17.4300
            14  C8x C    22.2600  -19.5300
            15  C1b C    29.5400  -13.9300
            16  C8y C    21.0700  -18.8300
            17  X   I    19.8800  -16.7300
            18  C5a C    30.7300  -14.6300
            19  O1a O    19.8100  -19.5300
            20  C6a C    31.9900  -13.9300
            21  O5a O    30.7300  -16.0300
            22  O6a O    33.1800  -14.6300
            23  O6a O    31.9900  -12.5300
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   18  21 2
            21   20  22 1
            22   20  23 2
            23    8  12 1
            24   14  16 2

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