COMPOUND: C04067
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Entry
C04067 Compound
Name
Diethyl 2-methyl-3-oxosuccinate;
Diethyl oxalpropionate;
Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester
Formula
C9H14O5
Exact mass
202.0841
Mol weight
202.2045
Structure
Mol file
KCF file
DB search
Reaction
R04387
Enzyme
1.1.1.229
Other DBs
CAS:
759-65-9
PubChem:
6762
ChEBI:
16879
3DMET:
B00673
NIKKAJI:
J26.314A
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All DBs
KCF data
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ATOM 14
1 C1a C 15.4000 -17.4300
2 C1b C 16.6124 -16.7300
3 O7a O 17.8249 -17.4300
4 C7a C 19.0373 -16.7300
5 C1c C 20.2497 -17.4300
6 C5a C 21.4622 -16.7300
7 C7a C 22.6746 -17.4300
8 O7a O 23.8870 -16.7300
9 C1b C 25.0995 -17.4300
10 C1a C 26.3119 -16.7300
11 O6a O 19.0373 -15.3300
12 O5a O 21.4622 -15.3303
13 O6a O 22.6746 -18.8300
14 C1a C 20.2497 -18.8299
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 4 11 2
11 6 12 2
12 7 13 2
13 5 14 1
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