KEGG   COMPOUND: C16623Help
Entry
C16623                      Compound                               

Name
Isonicotinylglycine;
Isonicotinuric acid
Formula
C8H8N2O3
Exact mass
180.0535
Mol weight
180.1607
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Other DBs
CAS: 2015-20-5
PubChem: 51090949
ChEBI: 80617
ChEMBL: CHEMBL3544636
NIKKAJI: J21.232F
KCF data Show

ATOM        13
            1   C8y C    25.4823  -14.6327
            2   C8x C    25.4677  -13.2295
            3   C8x C    24.2807  -15.3476
            4   C8x C    24.2486  -12.5463
            5   C8x C    23.0616  -14.6645
            6   N5x N    23.0390  -13.2635
            7   C5a C    26.6924  -15.3300
            8   N1b N    27.9049  -14.6300
            9   C1b C    29.1173  -15.3300
            10  C6a C    30.3297  -14.6300
            11  O6a O    31.5422  -15.3300
            12  O5a O    26.6930  -16.7298
            13  O6a O    30.3297  -13.2301
BOND        13
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     5   6 2
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  12 2
            13   10  13 2

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