KEGG   COMPOUND: C20646
Entry
C20646                      Compound                               
Name
(3S)-2-Oxo-3-phenylbutanoate;
(3S)-beta-Methylphenylpyruvate
Formula
C10H10O3
Exact mass
178.063
Mol weight
178.1846
Structure
Reaction
R10431 R10845
Enzyme
2.1.1.281       2.6.1.57        2.6.1.107
Other DBs
PubChem: 172232370
LinkDB
KCF data

ATOM        13
            1   C8x C    22.2600  -16.1700
            2   C8x C    22.2600  -17.6400
            3   C8x C    21.0000  -18.3400
            4   C8x C    19.8100  -17.6400
            5   C8y C    19.8100  -16.1700
            6   C8x C    21.0000  -15.4700
            7   C1c C    18.6200  -15.4700
            8   C5a C    17.4300  -16.1700
            9   C6a C    16.2400  -15.4700
            10  O6a O    15.0500  -16.1700
            11  O5a O    17.4300  -17.6400
            12  O6a O    16.2400  -14.0700
            13  C1a C    18.6200  -14.0700
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 2
            12    9  12 2
            13    7  13 1 #Up

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