KEGG   COMPOUND: C19789
Entry
C19789                      Compound                               

Name
5-Nitrosalicylate;
2-Hydroxy-5-nitrobenzoate
Formula
C7H5NO5
Exact mass
183.0168
Mol weight
183.1183
Structure
Reaction
Enzyme
1.13.11.64      3.5.99.8
Other DBs
CAS: 96-97-9
PubChem: 135626256
ChEMBL: CHEMBL1940317
PDB-CCD: 6R7[PDBj]
KCF data

ATOM        13
            1   C8x C    18.4441  -16.6907
            2   C8x C    18.4441  -18.0933
            3   C8y C    19.6363  -18.7946
            4   C8x C    20.8986  -18.0933
            5   C8y C    20.8986  -16.6907
            6   C8y C    19.6363  -15.9895
            7   O1a O    19.6363  -14.5869
            8   N2b N    19.6363  -20.1972 #+
            9   C6a C    22.0908  -15.9895
            10  O6a O    23.2830  -16.6907
            11  O6a O    22.0908  -14.5869
            12  O3a O    18.4441  -20.8985
            13  O3a O    20.8285  -20.8985 #-
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     3   8 1
            9     5   9 1
            10    9  10 1
            11    9  11 2
            12    8  12 2
            13    8  13 1

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