KEGG   COMPOUND: C02515
Entry
C02515                      Compound                               
Name
3-Iodo-L-tyrosine
Formula
C9H10INO3
Exact mass
306.9705
Mol weight
307.0851
Structure
Reaction
R03539 R03953 R03973 R09521 R09522
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map04918  Thyroid hormone synthesis
Module
M00043  Thyroid hormone biosynthesis, tyrosine => triiodothyronine/thyroxine
Network
nt06322  TRH-TSH-TH signaling
Enzyme
1.11.1.8        1.21.1.1
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Other amino acids
    C02515  3-Iodo-L-tyrosine
Other DBs
CAS: 70-78-0
PubChem: 5525
ChEBI: 27847
PDB-CCD: IYR[PDBj]
3DMET: B01585
NIKKAJI: J4.880A
LinkDB
KCF data

ATOM        14
            1   C8y C    26.1342  -16.7596
            2   C8y C    26.1342  -18.1570
            3   C8x C    24.9289  -16.0609
            4   X   I    27.3509  -16.0609
            5   C8x C    24.9289  -18.8616
            6   O1a O    27.3509  -18.8616
            7   C8y C    23.7121  -16.7596
            8   C8x C    23.7121  -18.1570
            9   C1b C    22.4952  -16.0609
            10  C1c C    21.2840  -16.7596
            11  C6a C    20.0671  -16.0609
            12  N1a N    21.2840  -18.1570
            13  O6a O    18.8561  -16.7596
            14  O6a O    20.0671  -14.6635
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     5   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1 #Down
            12   11  13 1
            13   11  14 2
            14    7   8 2

» Japanese version

KEGG   COMPOUND: C01060
Entry
C01060                      Compound                               
Name
3,5-Diiodo-L-tyrosine;
3,5-Diiodotyrosine;
L-Diiodotyrosine
Formula
C9H9I2NO3
Exact mass
432.8672
Mol weight
432.9816
Structure
Remark
ATC code: H03BX01
Reaction
R03207 R03208 R03953 R03973 R09522 R10059
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map04918  Thyroid hormone synthesis
Module
M00043  Thyroid hormone biosynthesis, tyrosine => triiodothyronine/thyroxine
Network
nt06322  TRH-TSH-TH signaling
Enzyme
1.11.1.8        1.21.1.1        2.6.1.24
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Other amino acids
    C01060  3,5-Diiodo-L-tyrosine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H03 THYROID THERAPY
   H03B ANTITHYROID PREPARATIONS
    H03BX Other antithyroid preparations
     H03BX01 Diiodotyrosine
      C01060  3,5-Diiodo-L-tyrosine
Other DBs
CAS: 300-39-0 66-02-4
PubChem: 4299
ChEBI: 15768
PDB-CCD: TYI[PDBj]
3DMET: B01373
NIKKAJI: J4.841K
LinkDB
KCF data

ATOM        15
            1   C8y C    26.2673  -15.1382
            2   C8x C    26.2673  -16.5420
            3   C8x C    27.4847  -14.4392
            4   C1b C    25.0615  -14.4508
            5   C8y C    27.4847  -17.2410
            6   C8y C    28.6963  -15.1382
            7   C1c C    23.8499  -15.1439
            8   C8y C    28.6963  -16.5420
            9   X   I    27.4847  -18.6449
            10  X   I    29.9080  -14.4449
            11  C6a C    22.6325  -14.4508
            12  N1a N    23.8499  -16.5479
            13  O1a O    29.9080  -17.2410
            14  O6a O    21.4208  -15.1439
            15  O6a O    22.6325  -13.0470
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1 #Down
            12    8  13 1
            13   11  14 1
            14   11  15 2
            15    6   8 1

» Japanese version

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