KEGG   COMPOUND: C05669Help
Entry
C05669                      Compound                               
Name
beta-Nitropropanoate;
beta-Nitropropanoic acid;
beta-Nitropropionic acid;
3-Nitropropanoate;
3-Nitropropionic acid
Formula
C3H5NO4
Exact mass
119.0219
Mol weight
119.0761
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
beta-Alanine metabolism
Enzyme
Other DBs
CAS: 
504-88-1
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        8
            1   O3a O     9.2624   -6.4400 #-
            2   N2b N    10.4749   -7.1400 #+
            3   C1b C    11.6873   -6.4400
            4   C1b C    12.8997   -7.1400
            5   C6a C    14.1122   -6.4400
            6   O6a O    15.3246   -7.1400
            7   O3a O    10.4749   -8.5398
            8   O6a O    14.1122   -5.0403
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2

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