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
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

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