COMPOUND: C03832
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Entry
C03832 Compound
Name
3,5,3'-Triiodothyropyruvate;
3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate
Formula
C15H9I3O5
Exact mass
649.7584
Mol weight
649.9424
Structure
Mol file
KCF file
DB search
Reaction
R03952
Enzyme
2.6.1.26
Other DBs
PubChem:
6574
ChEBI:
18184
3DMET:
B00643
NIKKAJI:
J2.749.547H
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KCF data
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ATOM 23
1 C8y C 25.9000 -16.0300
2 O2a O 24.7100 -16.7300
3 C8y C 27.0900 -16.7300
4 C8y C 25.9000 -14.6300
5 C8y C 23.4500 -17.4300
6 C8x C 28.3500 -16.0300
7 X I 27.0900 -18.1300
8 C8x C 27.0900 -13.9300
9 X I 24.7100 -13.9300
10 C8x C 22.2600 -16.7300
11 C8x C 23.4500 -18.8300
12 C8y C 28.3500 -14.6300
13 C8y C 21.0700 -17.4300
14 C8x C 22.2600 -19.5300
15 C1b C 29.5400 -13.9300
16 C8y C 21.0700 -18.8300
17 X I 19.8800 -16.7300
18 C5a C 30.7300 -14.6300
19 O1a O 19.8100 -19.5300
20 C6a C 31.9900 -13.9300
21 O5a O 30.7300 -16.0300
22 O6a O 33.1800 -14.6300
23 O6a O 31.9900 -12.5300
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 2
21 20 22 1
22 20 23 2
23 8 12 1
24 14 16 2
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