COMPOUND: C22309
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Entry
C22309 Compound
Name
Apulose;
1,3,4-Trihydroxy-3-(hydroxymethyl)butan-2-one
Formula
C5H10O5
Exact mass
150.0528
Mol weight
150.1299
Structure
Mol file
KCF file
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Reaction
R12665
R12792
Enzyme
2.7.1.233
5.3.1.36
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KCF data
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ATOM 10
1 C1b C 16.7730 -16.5843
2 C5a C 17.8954 -15.9239
3 O1a O 15.6506 -15.9239
4 O5a O 17.8954 -14.6035
5 C1d C 19.2278 -16.5843
6 C1b C 20.2022 -17.5906
7 O1a O 20.2586 -19.1083
8 C1b C 20.3621 -15.8899
9 O1a O 18.0933 -17.7766
10 O1a O 21.8225 -16.6599
BOND 9
1 1 2 1
2 1 3 1
3 2 4 2
4 2 5 1
5 5 6 1
6 6 7 1
7 5 8 1
8 5 9 1
9 8 10 1
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