KEGG   COMPOUND: C18312Help
Entry
C18312                      Compound                               

Name
4-Methyl-3-oxoadipate
Formula
C7H10O5
Exact mass
174.0528
Mol weight
174.1513
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
3.1.1.-
Other DBs
PubChem: 103061494
ChEBI: 81663
KCF data Show

ATOM        12
            1   O6a O    22.8145  -20.9250
            2   C6a C    24.0266  -20.2252
            3   C1b C    25.2388  -20.9250
            4   C5a C    26.4508  -20.2252
            5   C1c C    27.6629  -20.9250
            6   C1b C    28.8751  -20.2252
            7   C6a C    30.0872  -20.9250
            8   O5a O    26.4508  -18.8256
            9   C1a C    27.6629  -22.3246
            10  O6a O    31.3033  -20.2229
            11  O6a O    30.0872  -22.3247
            12  O6a O    24.0265  -18.8301
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    2  12 2

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