COMPOUND: C00849
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Entry
C00849 Compound
Name
Ethyl acetate
Formula
C4H8O2
Exact mass
88.0524
Mol weight
88.1051
Structure
Mol file
KCF file
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Remark
Same as:
D02319
Reaction
R11957
R12515
Enzyme
2.3.1.268
3.1.1.113
Other DBs
CAS:
141-78-6
PubChem:
4106
ChEBI:
27750
KNApSAcK:
C00001308
PDB-CCD:
EEE
[
PDBj
]
3DMET:
B00189
NIKKAJI:
J2.952A
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KCF data
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ATOM 6
1 C1a C 19.7438 -17.2319
2 C1b C 20.9551 -16.5275
3 O7a O 22.1667 -17.2248
4 C7a C 23.3782 -16.5206
5 C1a C 24.5896 -17.2179
6 O6a O 23.3752 -15.1188
BOND 5
1 1 2 1
2 3 4 1
3 4 5 1
4 2 3 1
5 4 6 2
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