KEGG   COMPOUND: C04690
Entry
C04690                      Compound                               
Name
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;
2-(Acetamidomethylene)-3-(hydroxymethyl)succinate
Formula
C8H11NO6
Exact mass
217.0586
Mol weight
217.176
Structure
Reaction
R04397 R04570
Pathway
map00750  Vitamin B6 metabolism
Enzyme
1.14.13.241     3.5.1.66
Other DBs
PubChem: 7270
ChEBI: 16216
3DMET: B04952
NIKKAJI: J2.752.935F
LinkDB
KCF data

ATOM        15
            1   C2c C    24.5700  -17.9200
            2   C1c C    25.7600  -18.6200
            3   C2b C    24.5700  -16.5200
            4   C6a C    23.3100  -18.6200
            5   C6a C    26.9500  -17.9200
            6   C1b C    25.7600  -20.0200
            7   N1b N    23.3100  -15.8900
            8   O6a O    23.3100  -20.0200
            9   O6a O    22.1200  -17.9200
            10  O6a O    26.9500  -16.5200
            11  O6a O    28.1400  -18.6200
            12  O1a O    26.9500  -20.7200
            13  C5a C    23.3100  -14.4200
            14  C1a C    22.1200  -13.7900
            15  O5a O    24.5000  -13.7900
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   13  14 1
            14   13  15 2

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