KEGG   COMPOUND: C20653Help
Entry
C20653                      Compound                               

Name
2-Benzylmalic acid;
2-Benzylmalate
Formula
C11H12O5
Exact mass
224.0685
Mol weight
224.21
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map01100  Metabolic pathways
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.3.3.-         4.2.1.-
Other DBs
CAS: 16947-49-2
PubChem: 172232376
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    27.2300   -9.8700
            2   C8x C    27.2300  -11.2700
            3   C8x C    28.4900  -11.9700
            4   C8x C    29.6800  -11.2700
            5   C8x C    29.6800   -9.8700
            6   C8x C    28.4900   -9.1700
            7   C1b C    26.0400   -9.1700
            8   C1d C    26.0400   -7.7700
            9   C1b C    24.8500   -7.0700
            10  C6a C    23.5900   -7.8400
            11  O6a O    22.4000   -7.1400
            12  O6a O    23.5900   -9.2400
            13  C6a C    27.2553   -7.0749
            14  O6a O    28.4437   -7.7677
            15  O6a O    27.2611   -5.6703
            16  O1a O    26.0400   -6.3700
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 #Up
            14   13  14 2
            15   13  15 1
            16    8  16 1 #Down

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