KEGG   COMPOUND: C02515
Entry
C02515                      Compound                               
Name
3-Iodo-L-tyrosine
Formula
C9H10INO3
Exact mass
306.9705
Mol weight
307.0851
Structure
Reaction
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
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

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