KEGG   COMPOUND: C07639Help
Entry
C07639                      Compound                               

Name
3,3',5'-Triiodo-L-thyronine;
3,3',5'-Triiodothyronine;
Reverse triiodothyronine;
rT3
Formula
C15H12I3NO4
Exact mass
650.79
Mol weight
650.9735
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map04919  Thyroid hormone signaling pathway
Enzyme
Other DBs
CAS: 5817-39-0
PubChem: 9841
ChEBI: 11684 28774
ChEMBL: CHEMBL1743304
NIKKAJI: J402.028F
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    29.3943  -19.5655
            2   O2a O    30.6111  -20.2642
            3   C8y C    29.3943  -18.1680
            4   C8x C    28.1946  -20.2642
            5   C8y C    31.8224  -20.9688
            6   C8x C    28.1946  -17.4633
            7   X   I    30.6111  -17.4633
            8   C8x C    26.9776  -19.5655
            9   C8x C    33.0394  -20.2642
            10  C8x C    31.8224  -22.3663
            11  C8y C    26.9776  -18.1680
            12  C8y C    34.2505  -20.9688
            13  C8y C    33.0394  -23.0651
            14  C1b C    25.7665  -17.4633
            15  C8y C    34.2505  -22.3663
            16  X   I    35.4618  -20.2642
            17  X   I    33.0394  -24.4567
            18  C1c C    24.5495  -18.1680
            19  O1a O    35.4618  -23.0651
            20  C6a C    23.3382  -17.4633
            21  N1a N    24.5495  -19.5655
            22  O6a O    22.1214  -18.1680
            23  O6a O    23.3382  -16.0659
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    9  12 2
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1 #Down
            21   20  22 1
            22   20  23 2
            23    8  11 2
            24   13  15 2

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