KEGG   COMPOUND: C06145
Entry
C06145                      Compound                               
Name
3-Butyn-1-al
Formula
C4H4O
Exact mass
68.0262
Mol weight
68.07
Structure
Reaction
R05119 R05120 R05121
Pathway
map00650  Butanoate metabolism
Other DBs
CAS: 52844-23-2
PubChem: 8401
ChEBI: 28180
NIKKAJI: J694.532E
LinkDB
KCF data

ATOM        5
            1   C1b C    26.4724  -21.3216
            2   C3b C    25.2497  -20.6192
            3   C4a C    27.6951  -20.6127
            4   O4a O    28.9112  -21.3216
            5   C3a C    24.0763  -19.9144
BOND        4
            1     1   2 1
            2     1   3 1
            3     3   4 2
            4     2   5 3

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