KEGG   COMPOUND: C05380
Entry
C05380                      Compound                               
Name
Nicotinurate;
Nicotinuric acid;
Nicotinylglycine
Formula
C8H8N2O3
Exact mass
180.0535
Mol weight
180.1607
Structure
Reaction
R01723
Pathway
map00760  Nicotinate and nicotinamide metabolism
Other DBs
CAS: 583-08-4
PubChem: 7754
ChEBI: 7563
3DMET: B00772
NIKKAJI: J11.524J
LinkDB
KCF data

ATOM        13
            1   C8y C    24.1275  -16.2242
            2   C8x C    22.9045  -15.5206
            3   C8x C    24.1275  -17.6351
            4   C8x C    21.6884  -16.2242
            5   N5x N    22.9045  -18.3388
            6   C8x C    21.6884  -17.6351
            7   C5a C    25.3624  -15.5400
            8   N1b N    26.5749  -16.2400
            9   C1b C    27.7873  -15.5400
            10  C6a C    28.9997  -16.2400
            11  O6a O    30.2122  -15.5400
            12  O6a O    28.9997  -17.6399
            13  O5a O    25.3748  -14.1404
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   10  12 2
            13    7  13 2

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