COMPOUND: C01757
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Entry
C01757 Compound
Name
Triacetate;
3,5-Dioxo-hexanoic acid
Formula
C6H8O4
Exact mass
144.0423
Mol weight
144.1253
Structure
Mol file
KCF file
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Reaction
R03702
Enzyme
3.1.1.38
Other DBs
CAS:
2140-49-0
PubChem:
4890
ChEBI:
16558
3DMET:
B00346
NIKKAJI:
J2.734.005I
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KCF data
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ATOM 10
1 C1a C 14.4900 -19.5300
2 C5a C 15.7024 -18.8300
3 C1b C 16.9149 -19.5300
4 C5a C 18.1273 -18.8300
5 C1b C 19.3397 -19.5300
6 C6a C 20.5522 -18.8300
7 O6a O 21.7646 -19.5300
8 O5a O 15.7024 -17.4302
9 O5a O 18.1273 -17.4300
10 O6a O 20.5522 -17.4303
BOND 9
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 2 8 2
8 4 9 2
9 6 10 2
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