KEGG   COMPOUND: C01606
Entry
C01606                      Compound                               
Name
Phthalate;
o-Phthalic acid;
1,2-Benzenedicarboxylic acid
Formula
C8H6O4
Exact mass
166.0266
Mol weight
166.1308
Structure
Reaction
R03630 R05167 R05643 R07703 R07802 R09227 R10915
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
map02010  ABC transporters
Module
M00623  Phthalate degradation, phthalate => protocatechuate
M00636  Phthalate degradation, phthalate => protocatechuate
Enzyme
1.2.1.78        1.3.1.19        1.11.1.19       1.14.12.7       
1.14.12.-       3.5.1.79        3.7.1.-
Other DBs
CAS: 88-99-3
PubChem: 4759
ChEBI: 17563 29069
PDB-CCD: PHT[PDBj]
3DMET: B00332
NIKKAJI: J3.547E
LinkDB
KCF data

ATOM        12
            1   C8y C    28.8452  -17.6422
            2   C8y C    28.8452  -16.2378
            3   C8x C    27.6398  -18.3385
            4   C6a C    30.0625  -18.3385
            5   C8x C    27.6398  -15.5415
            6   C6a C    30.0625  -15.5415
            7   C8x C    26.4225  -17.6422
            8   O6a O    31.2736  -17.6363
            9   O6a O    30.0625  -19.7372
            10  C8x C    26.4225  -16.2378
            11  O6a O    31.2736  -16.2437
            12  O6a O    30.0625  -14.1428
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  10 2

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