KEGG   COMPOUND: C03071
Entry
C03071                      Compound                               

Name
3-aci-Nitropropanoate;
3-aci-Nitropropionic acid
Formula
C3H5NO4
Exact mass
119.0219
Mol weight
119.0761
Structure
Reaction
Enzyme
Other DBs
PubChem: 5971
ChEBI: 136067 16775
NIKKAJI: J2.740.517G
KCF data

ATOM        8
            1   C6a C    23.9394  -16.5210
            2   C1b C    22.7284  -15.8190
            3   O6a O    25.1503  -15.8190
            4   O6a O    23.9394  -17.9191
            5   C2b C    21.5116  -16.5210
            6   N2b N    20.3006  -15.8190 #+
            7   O3a O    20.3006  -14.4209 #-
            8   O1b O    19.0897  -16.5210
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 2
            6     6   7 1
            7     6   8 1

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