KEGG   COMPOUND: C20654
Entry
C20654                      Compound                               
Name
3-Benzylmalic acid;
3-Benzylmalate
Formula
C11H12O5
Exact mass
224.0685
Mol weight
224.21
Structure
Reaction
R10501 R10502
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map01100  Metabolic pathways
map01210  2-Oxocarboxylic acid metabolism
Enzyme
1.1.1.-         4.2.1.-
Other DBs
PubChem: 172232377
ChEBI: 179102
LinkDB
KCF data

ATOM        16
            1   C8y C    19.8281  -17.2012
            2   C8x C    19.8281  -18.5985
            3   C8x C    21.0857  -19.2972
            4   C8x C    22.2735  -18.5985
            5   C8x C    22.2735  -17.2012
            6   C8x C    21.0857  -16.5025
            7   C1b C    18.6404  -16.5025
            8   C1c C    18.6404  -15.1052
            9   C1c C    17.4527  -14.4065
            10  C6a C    16.1951  -15.1751
            11  O6a O    15.0073  -14.4764
            12  O6a O    16.1951  -16.5724
            13  C6a C    19.8534  -14.4114
            14  O6a O    21.0395  -15.1029
            15  O6a O    19.8592  -13.0095
            16  O1a O    17.4408  -13.0200
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   10  12 1
            13    8  13 1
            14   13  14 2
            15   13  15 1
            16    9  16 1

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