COMPOUND: C06144
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Entry
C06144 Compound
Name
3-Butynoate;
But-3-ynoate
Formula
C4H4O2
Exact mass
84.0211
Mol weight
84.0734
Structure
Mol file
KCF file
DB search
Reaction
R01367
R05119
R05120
Pathway
map00650
Butanoate metabolism
map01100
Metabolic pathways
Enzyme
4.2.1.27
Other DBs
CAS:
2345-51-9
PubChem:
8400
ChEBI:
1461
62211
3DMET:
B00908
NIKKAJI:
J247.950H
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KCF data
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ATOM 6
1 C1b C 26.4402 -21.6133
2 C6a C 27.6577 -20.9076
3 C3b C 25.2228 -20.9206
4 O6a O 28.8685 -21.6133
5 O6a O 27.6448 -19.5024
6 C3a C 24.0463 -20.1891
BOND 5
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 3
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