KEGG   COMPOUND: C06337Help
Entry
C06337                      Compound                               

Name
Terephthalate;
Terephthalic acid;
1,4-Benzenedicarboxylic acid
Formula
C8H6O4
Exact mass
166.0266
Mol weight
166.1308
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map00627  Aminobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00624  Terephthalate degradation, terephthalate => 3,4-dihydroxybenzoate
Enzyme
1.14.12.15      3.1.1.102
Other DBs
CAS: 100-21-0
PubChem: 8573
ChEBI: 15702 30043
ChEMBL: CHEMBL1374420
3DMET: B00943
NIKKAJI: J3.588B
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    28.8400  -18.3208
            2   C6a C    28.8457  -19.7368
            3   C8x C    27.6282  -17.6275
            4   C8x C    30.0344  -17.6275
            5   O6a O    30.0752  -20.4360
            6   O6a O    27.6165  -20.4417
            7   C8x C    27.6282  -16.2408
            8   C8x C    30.0344  -16.2408
            9   C8y C    28.8400  -15.5475
            10  C6a C    28.8400  -14.1608
            11  O6a O    30.0694  -13.4500
            12  O6a O    27.6165  -13.4440
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    8   9 2

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