COMPOUND: C07639
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Entry
C07639 Compound
Name
3,3',5'-Triiodo-L-thyronine;
3,3',5'-Triiodothyronine;
Reverse triiodothyronine;
rT3
Formula
C15H12I3NO4
Exact mass
650.7900
Mol weight
650.97
Structure
Mol file
KCF file
DB search
Reaction
R07230
Pathway
map04919
Thyroid hormone signaling pathway
Enzyme
1.21.99.3
Other DBs
CAS:
5817-39-0
PubChem:
9841
ChEBI:
11684
28774
NIKKAJI:
J402.028F
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KCF data
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ATOM 23
1 C8y C 29.3943 -19.5655
2 O2a O 30.6111 -20.2642
3 C8y C 29.3943 -18.1680
4 C8x C 28.1946 -20.2642
5 C8y C 31.8224 -20.9688
6 C8x C 28.1946 -17.4633
7 X I 30.6111 -17.4633
8 C8x C 26.9776 -19.5655
9 C8x C 33.0394 -20.2642
10 C8x C 31.8224 -22.3663
11 C8y C 26.9776 -18.1680
12 C8y C 34.2505 -20.9688
13 C8y C 33.0394 -23.0651
14 C1b C 25.7665 -17.4633
15 C8y C 34.2505 -22.3663
16 X I 35.4618 -20.2642
17 X I 33.0394 -24.4567
18 C1c C 24.5495 -18.1680
19 O1a O 35.4618 -23.0651
20 C6a C 23.3382 -17.4633
21 N1a N 24.5495 -19.5655
22 O6a O 22.1214 -18.1680
23 O6a O 23.3382 -16.0659
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 9 12 2
12 10 13 1
13 11 14 1
14 12 15 1
15 12 16 1
16 13 17 1
17 14 18 1
18 15 19 1
19 18 20 1
20 18 21 1 #Down
21 20 22 1
22 20 23 2
23 8 11 2
24 13 15 2
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