KEGG   COMPOUND: C06051
Entry
C06051                      Compound                               
Name
Isopyridoxal
Formula
C8H9NO3
Exact mass
167.0582
Mol weight
167.16
Structure
Reaction
Pathway
map00750  Vitamin B6 metabolism
Enzyme
1.1.1.416       1.1.99.9        1.2.1.102
Other DBs
CAS: 6560-46-9
PubChem: 8322
ChEBI: 17889
NIKKAJI: J100.295C
KCF data

ATOM        12
            1   C8y C    24.8849  -17.1915
            2   C8y C    26.0967  -17.8847
            3   C8y C    23.6730  -17.8847
            4   C1b C    24.8674  -15.7874
            5   C8x C    26.0967  -19.2830
            6   C4a C    27.3087  -17.1798
            7   C8y C    23.6730  -19.2830
            8   O1a O    22.4553  -17.1915
            9   O1a O    23.6613  -15.0823
            10  N5x N    24.8849  -19.9881
            11  O4a O    27.3028  -15.7815
            12  C1a C    22.4553  -19.9822
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    7  10 1

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