COMPOUND: C06613
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Entry
C06613 Compound
Name
trans-3-Chloroallyl aldehyde;
trans-3-Chloro-2-propenal
Formula
C3H3ClO
Exact mass
89.9872
Mol weight
90.51
Structure
Mol file
KCF file
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Reaction
R05233
R05237
Pathway
map00625
Chloroalkane and chloroalkene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
1.1.1.1
1.2.1.3
Other DBs
PubChem:
8839
ChEBI:
190243
NIKKAJI:
J83.949C
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KCF data
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ATOM 5
1 C2b C 28.8400 -17.2902
2 C4a C 30.0545 -16.5895
3 C2b C 27.6255 -16.5955
4 O4a O 31.2691 -17.2786
5 X Cl 26.4109 -17.2962
BOND 4
1 1 2 1
2 1 3 2
3 2 4 2
4 3 5 1
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