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        1.97.1.10       1.97.1.11
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Other amino acids
    C01829  L-Thyroxine
 Hormones and transmitters
  Other hormones
   Thyroxine
    C01829  Thyroxine
  Neurotransmitters
   Biogenic amines
    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: 
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

DBGET integrated database retrieval system