COMPOUND: C04105
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Entry
C04105 Compound
Name
2,5-Dihydro-5-oxofuran-2-acetate;
2-Oxo-2,5-dihydrofuran-5-acetate;
Muconolactone;
5-Oxo-2,5-dihydrofuran-2-acetate;
4-Carboxymethyl-4-hydroxyisocrotonolactone
Formula
C6H6O4
Exact mass
142.0266
Mol weight
142.1094
Structure
Mol file
KCF file
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Reaction
R03959
R04260
Enzyme
5.3.3.4
5.5.1.1
Other DBs
CAS:
6666-46-2
PubChem:
6796
ChEBI:
18080
NIKKAJI:
J1.552.257G
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KCF data
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ATOM 10
1 C7x C 22.8289 -18.3489
2 C2x C 23.2588 -19.6834
3 C2x C 24.6609 -19.6870
4 C1y C 25.0976 -18.3546
5 O7x O 23.9653 -17.5276
6 O6a O 21.5067 -17.9153
7 C1b C 26.3181 -17.6856
8 C6a C 27.5193 -18.4088
9 O6a O 28.7462 -17.7301
10 O6a O 27.4936 -19.8104
BOND 10
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 8 10 2
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