KEGG   COMPOUND: C12121
Entry
C12121                      Compound                               
Name
5-Deoxy-5-aminoshikimic acid
Formula
C7H11NO4
Exact mass
173.0688
Mol weight
173.1665
Structure
Other DBs
PubChem: 14268
ChEBI: 29490
NIKKAJI: J2.054.722G
LinkDB
KCF data

ATOM        12
            1   C2x C    22.9571  -19.4594
            2   C1y C    22.9571  -20.8596
            3   C1y C    24.1726  -21.5597
            4   C1y C    25.3810  -20.8596
            5   C1x C    25.3810  -19.4594
            6   C2y C    24.1726  -18.7593
            7   C6a C    24.1743  -17.3592
            8   O6a O    25.3878  -16.6606
            9   O6a O    22.9625  -16.6575
            10  O1a O    24.1743  -22.9599
            11  O1a O    21.7448  -21.5604
            12  N1a N    26.5940  -21.5588
BOND        12
            1     6   1 2
            2     6   7 1
            3     1   2 1
            4     7   8 1
            5     2   3 1
            6     7   9 2
            7     3   4 1
            8     3  10 1 #Down
            9     4   5 1
            10    2  11 1 #Down
            11    5   6 1
            12    4  12 1 #Up

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