KEGG   COMPOUND: C05629Help
Entry
C05629                      Compound                               

Name
Phenylpropanoate;
3-Phenyl-propionic acid;
3-Phenylpropanoic acid;
3-Phenylpropionic acid
Formula
C9H10O2
Exact mass
150.0681
Mol weight
150.1745
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00360  Phenylalanine metabolism
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.31        1.14.12.19
Other DBs
CAS: 501-52-0
PubChem: 7943
ChEBI: 28631
ChEMBL: CHEMBL851
PDB-CCD: HCI[PDBj]
3DMET: B00813
NIKKAJI: J2.601H
LinkDB All DBs
KCF data Show

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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