KEGG   COMPOUND: C05629
Entry
C05629                      Compound                               
Name
Phenylpropanoate;
3-Phenylpropanoate;
3-Phenyl-propionic acid;
3-Phenylpropanoic acid;
3-Phenylpropionic acid
Formula
C9H10O2
Exact mass
150.0681
Mol weight
150.1745
Structure
Reaction
Pathway
map00360  Phenylalanine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.31        1.3.8.15        1.14.12.19
Brite
Dietary phytochemicals [br08012.html]
 Flavonoids
  C05629
Other DBs
CAS: 501-52-0
PubChem: 7943
ChEBI: 28631
PDB-CCD: HCI[PDBj]
3DMET: B00813
NIKKAJI: J2.601H
KCF data

ATOM        11
            1   C8y C    28.1642  -20.9195
            2   C1b C    28.1577  -19.5290
            3   C8x C    26.9594  -21.6180
            4   C8x C    29.3880  -21.6180
            5   C1b C    29.3623  -18.8242
            6   C8x C    26.9594  -23.0277
            7   C8x C    29.3880  -23.0277
            8   C6a C    29.3623  -17.4335
            9   C8x C    28.1642  -23.7390
            10  O6a O    30.5671  -16.7352
            11  O6a O    28.1513  -16.7415
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     6   9 2
            9     8  10 1
            10    8  11 2
            11    7   9 1

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