KEGG   COMPOUND: C07455Help
Entry
C07455                      Compound                               

Name
Nitroglycerin;
Glyceryl trinitrate
Formula
C3H5N3O9
Exact mass
227.0026
Mol weight
227.0865
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Other DBs
CAS: 
55-63-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        15
            1   C1c C    25.0868  -17.7109
            2   C1b C    25.0926  -16.3122
            3   C1b C    25.0751  -19.1097
            4   O2a O    23.6822  -17.7109
            5   O2a O    26.4914  -16.3122
            6   O2a O    26.4797  -19.1097
            7   N2b N    22.2834  -17.7051 #+
            8   N2b N    27.8900  -16.3122 #+
            9   N2b N    27.8783  -19.1097 #+
            10  O3a O    22.2776  -16.3063
            11  O3a O    20.8848  -17.6992 #-
            12  O3a O    27.8841  -14.9134
            13  O3a O    29.2946  -16.3122 #-
            14  O3a O    27.8724  -17.7109
            15  O3a O    29.2770  -19.1097 #-
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     7  10 2
            10    7  11 1
            11    8  12 2
            12    8  13 1
            13    9  14 2
            14    9  15 1

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