KEGG   COMPOUND: C01275
Entry
C01275                      Compound                               
Name
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;
trans-2'-Carboxybenzalpyruvate
Formula
C11H8O5
Exact mass
220.0372
Mol weight
220.1782
Structure
Reaction
R03465 R03466
Enzyme
1.13.11.38      4.1.2.34
Other DBs
PubChem: 4494
ChEBI: 15612 27040
3DMET: B00272
NIKKAJI: J1.918.454D
LinkDB
KCF data

ATOM        16
            1   C8y C    20.3216  -16.8311
            2   C8y C    20.3216  -15.4286
            3   C2b C    21.5312  -17.5325
            4   C8x C    19.1185  -17.5260
            5   C8x C    19.1120  -14.7209
            6   C6a C    21.5375  -14.7337
            7   C2b C    22.7472  -16.8311
            8   C8x C    17.9025  -16.8377
            9   C8x C    17.9025  -15.4349
            10  O6a O    22.7408  -15.4415
            11  O6a O    21.5312  -13.4075
            12  C5a C    23.9631  -17.5388
            13  C6a C    25.1793  -16.8377
            14  O5a O    23.9631  -19.0114
            15  O6a O    26.3887  -17.5388
            16  O6a O    25.1793  -15.5815
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12   12  13 1
            13   12  14 2
            14   13  15 1
            15   13  16 2
            16    8   9 2

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