KEGG   COMPOUND: C06318Help
Entry
C06318                      Compound                               

Name
(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate;
(1R,6S)-Dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate;
Terephthalate-1,2-cis-dihydrodiol;
cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate
Formula
C8H8O6
Exact mass
200.0321
Mol weight
200.1455
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00624  Terephthalate degradation, terephthalate => 3,4-dihydroxybenzoate
Enzyme
1.3.1.53        1.14.12.15
Other DBs
CAS: 161578-47-8
PubChem: 8554
ChEBI: 15564
NIKKAJI: J2.374.430I
KCF data Show

ATOM        14
            1   C1z C    28.3444  -18.3666
            2   C1y C    29.5550  -17.6798
            3   C2x C    27.1336  -17.6798
            4   C6a C    28.3444  -19.7519
            5   O1a O    26.9648  -18.9719
            6   C2x C    29.5550  -16.2771
            7   O1a O    30.7541  -18.3666
            8   C2x C    27.1336  -16.2771
            9   C2y C    28.3444  -15.5844
            10  C6a C    28.3444  -14.1991
            11  O6a O    29.5550  -13.5122
            12  O6a O    27.1453  -13.5065
            13  O6a O    27.1413  -20.4465
            14  O6a O    29.5558  -20.4514
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 2
            8     6   9 2
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    8   9 1
            13    4  13 1
            14    4  14 2

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