COMPOUND: C01244
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Entry
C01244 Compound
Name
3,5-Diiodo-4-hydroxyphenylpyruvate;
3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate
Formula
C9H6I2O4
Exact mass
431.8355
Mol weight
431.9505
Structure
Mol file
KCF file
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Reaction
R03207
R03431
Enzyme
1.1.1.96
2.6.1.24
Other DBs
PubChem:
4465
ChEBI:
17131
3DMET:
B00263
NIKKAJI:
J62.842E
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All DBs
KCF data
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ATOM 15
1 C8y C 21.5464 -15.4995
2 C8x C 21.5464 -16.9002
3 C8x C 20.3249 -14.8025
4 C1b C 22.7489 -14.7960
5 C8y C 20.3249 -17.6165
6 C8y C 19.1225 -15.4995
7 C5a C 23.9576 -15.4932
8 C8y C 19.1225 -16.9002
9 X I 20.3249 -19.1444
10 X I 17.9137 -14.8025
11 C6a C 25.1600 -14.7897
12 O5a O 23.9576 -16.8811
13 O1a O 17.9137 -17.5909
14 O6a O 26.3624 -15.4867
15 O6a O 25.1093 -13.5478
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 2
12 8 13 1
13 11 14 1
14 11 15 2
15 6 8 1
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