KEGG   COMPOUND: C07113Help
Entry
C07113                      Compound                               

Name
Acetophenone;
1-Phenylethanone;
Phenyl methyl ketone;
Acetylbenzene;
Methyl phenyl ketone
Formula
C8H8O
Exact mass
120.0575
Mol weight
120.1485
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00642  Ethylbenzene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.1.1.311       1.14.12.12      6.4.1.8
Other DBs
CAS: 98-86-2
PubChem: 9324
ChEBI: 27632
ChEMBL: CHEMBL274467
KNApSAcK: C00002685
PDB-CCD: AC0[PDBj]
3DMET: B01072
NIKKAJI: J3.225E
KCF data Show

ATOM        9
            1   C8y C    28.8400  -16.5616
            2   C8x C    27.6241  -17.2597
            3   C8x C    30.0500  -17.2597
            4   C5a C    28.8400  -15.1597
            5   C8x C    27.6241  -18.6559
            6   C8x C    30.0500  -18.6559
            7   C1a C    30.0559  -14.4615
            8   O5a O    27.6300  -14.4558
            9   C8x C    28.8400  -19.3599
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 2

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