KEGG   COMPOUND: C00804
Entry
C00804                      Compound                               
Name
Propynoate;
Propiolic acid;
Acetylenecarboxylic acid;
Acetylenemonocarboxylate
Formula
C3H2O2
Exact mass
70.0055
Mol weight
70.05
Structure
Reaction
R01611 R02940 R03535
Pathway
map00410  beta-Alanine metabolism
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
1.2.1.3         1.2.5.2         4.2.1.27
Other DBs
CAS: 471-25-0
PubChem: 4062
ChEBI: 15364 33199
NIKKAJI: J5.941B
LinkDB
KCF data

ATOM        5
            1   C6a C    22.7428  -16.1731
            2   C3b C    21.5324  -16.8684
            3   O6a O    23.9597  -16.8684
            4   O6a O    22.7428  -14.7696
            5   C3a C    20.3221  -17.5703
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 3

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