COMPOUND: C22220
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Entry
C22220 Compound
Name
3-Oxoisoapionate;
2,4-Dihydroxy-2-(hydroxymethyl)-3-oxobutanoate
Formula
C5H8O6
Exact mass
164.0321
Mol weight
164.1134
Structure
Mol file
KCF file
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Reaction
R12503
R12609
R12616
Enzyme
1.1.1.421
2.7.1.231
4.1.1.120
Other DBs
PubChem:
405226411
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KCF data
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ATOM 11
1 C1d C 18.0304 -16.1811
2 C5a C 19.2316 -16.8878
3 C1b C 20.4328 -16.1811
4 O1a O 21.6341 -16.8878
5 O5a O 19.2316 -18.3009
6 C1b C 16.8171 -16.8815
7 O1a O 16.8171 -18.2825
8 C6a C 16.8171 -15.4806
9 O6a O 15.6038 -16.1811
10 O6a O 16.8171 -14.0796
11 O1a O 19.0209 -15.1905
BOND 10
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 2
5 1 6 1
6 6 7 1
7 1 8 1
8 8 9 1
9 8 10 2
10 1 11 1
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