KEGG   COMPOUND: C12624
Entry
C12624                      Compound                               
Name
2-Hydroxy-6-ketononatrienedioate;
(2Z,4E,7E)-2-Hydroxy-6-oxonona-2,4,7-triene-1,9-dioate
Formula
C9H8O6
Exact mass
212.0321
Mol weight
212.16
Structure
Reaction
R06788 R06789
Pathway
map00360  Phenylalanine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00545  Trans-cinnamate degradation, trans-cinnamate => acetyl-CoA
Enzyme
1.13.11.16      3.7.1.14
Other DBs
PubChem: 583014
ChEBI: 31082 66939
NIKKAJI: J2.783.742E
LinkDB
KCF data

ATOM        15
            1   C2b C    17.5580  -26.0701
            2   C2b C    18.7679  -25.3686
            3   C2b C    19.9842  -26.0701
            4   C2c C    21.1941  -25.3686
            5   O1a O    22.4038  -26.0701
            6   C6a C    21.1941  -23.9723
            7   C5a C    17.5580  -27.4706
            8   O5a O    16.3452  -28.1708
            9   C2b C    18.7709  -28.1708
            10  C2b C    18.7709  -29.5712
            11  C6a C    19.9837  -30.2715
            12  O6a O    19.9837  -31.6719
            13  O6a O    21.1965  -29.5712
            14  O6a O    19.9813  -23.2721
            15  O6a O    22.4070  -23.2721
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     4   6 1
            6     1   7 1
            7     7   8 2
            8     7   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13    6  14 1
            14    6  15 2

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