KEGG   COMPOUND: C02465Help
Entry
C02465                      Compound                               

Name
Triiodothyronine;
3,3',5-Triiodo-L-thyronine;
L-3,5,3'-Triiodothyronine;
3,5,3'-Triiodothyronine;
Liothyronine;
3,5,3'-Triiodo-L-thyronine;
T3
Formula
C15H12I3NO4
Exact mass
650.79
Mol weight
650.9735
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Tyrosine metabolism
Metabolic pathways
Neuroactive ligand-receptor interaction
Thyroid hormone synthesis
Thyroid hormone signaling pathway
Bile secretion
Autoimmune thyroid disease
Module
M00043  
Thyroid hormone biosynthesis, tyrosine => triiodothyronine/thyroxine
Enzyme
1.11.1.8        1.21.99.4       2.6.1.26
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Other amino acids
    C02465  Triiodothyronine
 Hormones and transmitters
  Other hormones
   Thyroid hormones
    C02465  Triiodothyronine
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Thyroid)
  Liothyronine
   D08128  Liothyronine (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    thyroid hormone receptor, alpha
     Liothyronine
      D08128  Liothyronine (INN)
    thyroid hormone receptor, beta
     Liothyronine
      D08128  Liothyronine (INN)
BRITE hierarchy
Other DBs
CAS: 
6893-02-3
PubChem: 
ChEBI: 
ChEMBL: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8y C    31.2138  -15.4878
            2   O2a O    32.4306  -16.1864
            3   C8y C    30.0144  -16.1864
            4   C8y C    31.2138  -14.0905
            5   C8y C    33.6415  -16.8908
            6   C8x C    28.7977  -15.4878
            7   X   I    30.0144  -17.5837
            8   C8x C    30.0144  -13.3861
            9   X   I    32.4306  -13.3861
            10  C8x C    34.8583  -16.1864
            11  C8x C    33.6415  -18.2881
            12  C8y C    28.7977  -14.0905
            13  C8y C    36.0694  -16.8908
            14  C8x C    34.8583  -18.9868
            15  C1b C    27.5866  -13.3861
            16  C8y C    36.0694  -18.2881
            17  X   I    37.2803  -16.1864
            18  C1c C    26.3698  -14.0905
            19  O1a O    37.2803  -18.9868
            20  C6a C    25.1589  -13.3861
            21  N1a N    26.3698  -15.4878
            22  O6a O    23.9421  -14.0905
            23  O6a O    25.1589  -11.9888
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 1 #Down
            21   20  22 1
            22   20  23 2
            23    8  12 1
            24   14  16 2

» Japanese version

KEGG   COMPOUND: C01829Help
Entry
C01829                      Compound                               

Name
Thyroxine;
Levothyroxin;
L-Thyroxine;
O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine;
3,5,3'5'-Tetraiodo-L-thyronine;
T4
Formula
C15H11I4NO4
Exact mass
776.6867
Mol weight
776.87
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Tyrosine metabolism
Metabolic pathways
Neuroactive ligand-receptor interaction
Thyroid hormone synthesis
Thyroid hormone signaling pathway
Bile secretion
Autoimmune thyroid disease
Enzyme
1.11.1.8        1.21.99.3       1.21.99.4
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Other amino acids
    C01829  L-Thyroxine
 Hormones and transmitters
  Other hormones
   Thyroid hormones
    C01829  Thyroxine
  Neurotransmitters
   Amino acids
    C01829  Thyroxine
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Thyroid)
  Levothyroxine
   D08125  Levothyroxine (BAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    thyroid hormone receptor, alpha
     Levothyroxine
      D08125  Levothyroxine (BAN)
    thyroid hormone receptor, beta
     Levothyroxine
      D08125  Levothyroxine (BAN)
BRITE hierarchy
Other DBs
CAS: 
51-48-9
PubChem: 
ChEBI: 
ChEMBL: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    27.9498  -18.6535
            2   O2a O    26.7440  -17.9486
            3   C8x C    27.9498  -20.0515
            4   C8x C    29.1672  -17.9486
            5   C8y C    25.5324  -17.2496
            6   C8y C    29.1672  -20.7505
            7   C8y C    30.3788  -18.6535
            8   C8y C    24.3266  -17.9486
            9   C8y C    25.5324  -15.8517
            10  C8y C    30.3788  -20.0515
            11  X   I    29.1672  -22.1483
            12  X   I    31.5903  -17.9486
            13  C8x C    23.1093  -17.2496
            14  X   I    24.3266  -19.3466
            15  C8x C    24.3266  -15.1468
            16  X   I    26.7498  -15.1468
            17  O1a O    31.5903  -20.7446
            18  C8y C    23.1093  -15.8517
            19  C1b C    21.8919  -15.1527
            20  C1c C    20.6802  -15.8517
            21  C6a C    19.4628  -15.1527
            22  N1a N    20.6802  -17.2496
            23  O6a O    18.2513  -15.8517
            24  O6a O    19.4628  -13.7547
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    8  14 1
            14    9  15 2
            15    9  16 1
            16   10  17 1
            17   13  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1 #Down
            22   21  23 1
            23   21  24 2
            24    7  10 1
            25   15  18 1

» Japanese version

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