KEGG   COMPOUND: C00601Help
Entry
C00601                      Compound                               

Name
Phenylacetaldehyde;
alpha-Tolualdehyde
Formula
C8H8O
Exact mass
120.0575
Mol weight
120.1485
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00360  Phenylalanine metabolism
map00643  Styrene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.1.90        1.2.1.5         1.2.1.39        1.4.3.4         
1.4.3.21        1.4.9.2         4.1.1.43        4.1.1.109       
4.1.1.-         5.3.99.7
Other DBs
CAS: 122-78-1
PubChem: 3876
ChEBI: 16424
ChEMBL: CHEMBL1233464
KNApSAcK: C00007535
PDB-CCD: HY1[PDBj]
3DMET: B00145
NIKKAJI: J2.494E
KCF data Show

ATOM        9
            1   C8x C    14.9800  -23.8700
            2   C8x C    14.9800  -25.2700
            3   C8x C    16.1924  -25.9700
            4   C8x C    17.4049  -25.2700
            5   C8x C    17.4049  -23.8700
            6   C8y C    16.1924  -23.1700
            7   C1b C    16.1924  -21.7702
            8   C4a C    17.3880  -21.0798
            9   O4a O    18.5752  -21.7652
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 2

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