| | COMPOUND: C12833 | |
Entry |
|
Name |
2,3,5-Trichloro-cis,cis-muconate;
2,3,5-Trichloro-cis,cis-muconic acid
|
Formula |
C6H3Cl3O4
|
Exact mass |
243.9097
|
Mol weight |
245.4446
|
Structure |
|
Reaction |
|
Pathway |
map00361 | Chlorocyclohexane and chlorobenzene degradation |
map01120 | Microbial metabolism in diverse environments |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0109 Halogenated fatty acids
C12833 2,3,5-Trichloro-cis,cis-muconic acid
|
Other DBs |
|
KCF data |
ATOM 13
1 O6a O 25.2243 -18.3510
2 C6a C 26.4350 -17.6471
3 C2c C 27.6456 -18.3439
4 C2b C 28.8563 -17.6401
5 C2c C 28.8532 -16.2394
6 C2c C 30.0656 -15.5399
7 X Cl 30.1326 -14.1393
8 C6a C 31.2812 -16.2342
9 O6a O 31.2843 -17.6347
10 O6a O 32.4936 -15.5346
11 O6a O 26.4320 -16.2465
12 X Cl 27.6486 -19.7446
13 X Cl 27.6376 -15.5453
BOND 12
1 6 7 1
2 3 4 2
3 6 8 1
4 8 9 1
5 4 5 1
6 8 10 2
7 2 3 1
8 2 11 1
9 5 6 2
10 3 12 1
11 1 2 2
12 5 13 1
|
|
» Japanese version
|
|