KEGG   COMPOUND: C00813
Entry
C00813                      Compound                               
Name
Barbiturate;
Barbituric acid;
Malonylurea
Formula
C4H4N2O3
Exact mass
128.0222
Mol weight
128.09
Structure
Reaction
R00976 R02139
Pathway
map00240  Pyrimidine metabolism
map01100  Metabolic pathways
Enzyme
1.17.99.4       3.5.2.1
Other DBs
CAS: 67-52-7
PubChem: 4071
ChEBI: 16294 29745
PDB-CCD: BR8[PDBj]
NIKKAJI: J348D
LinkDB
KCF data

ATOM        9
            1   C5x C    21.7307  -19.4338
            2   C1x C    21.7307  -20.8263
            3   N1x N    22.9208  -18.7437
            4   O5x O    20.5405  -18.7437
            5   C5x C    22.9208  -21.5291
            6   C5x C    24.1297  -19.4338
            7   N1x N    24.1297  -20.8263
            8   O5x O    22.9208  -23.0410
            9   O5x O    25.3199  -18.7374
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     5   8 2
            8     6   9 2
            9     6   7 1

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