KEGG   COMPOUND: C00811Help
Entry
C00811                      Compound                               

Name
4-Coumarate;
p-Coumaric acid;
trans-4-Hydroxycinnamate;
trans-p-Hydroxycinnamate;
4-Hydroxycinnamic acid;
4-Hydroxycinnamate
Formula
C9H8O3
Exact mass
164.0473
Mol weight
164.158
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map00350  Tyrosine metabolism
map00360  Phenylalanine metabolism
map00940  Phenylpropanoid biosynthesis
map00950  Isoquinoline alkaloid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01220  Degradation of aromatic compounds
Module
M00039  Monolignol biosynthesis, phenylalanine/tyrosine => monolignol
M00137  Flavanone biosynthesis, phenylalanine => naringenin
M00350  Capsaicin biosynthesis, L-Phenylalanine => Capsaicin
Enzyme
1.14.13.-       1.14.14.91      1.14.18.1       2.4.1.126       
4.1.1.102       4.2.1.-         4.3.1.23        4.3.1.25        
6.2.1.12
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Paracoumaryl alcohol derivatives
    C00811  4-Coumarate
BRITE hierarchy
Other DBs
CAS: 7400-08-0 501-98-4
PubChem: 4069
ChEBI: 32374
ChEMBL: CHEMBL66879
KNApSAcK: C00000152 C00000580 C00026316
PDB-CCD: HC4[PDBj]
3DMET: B01335
NIKKAJI: J6.196D J8.929J
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    20.5100  -21.2100
            2   C8x C    20.5100  -22.6100
            3   C8x C    21.7224  -23.3100
            4   C8y C    22.9349  -22.6100
            5   C8x C    22.9349  -21.2100
            6   C8x C    21.7224  -20.5100
            7   O1a O    24.1660  -23.3210
            8   C2b C    19.2976  -20.5100
            9   C2b C    18.1021  -21.2004
            10  C6a C    16.9147  -20.5149
            11  O6a O    15.7235  -21.2029
            12  O6a O    16.9145  -19.1102
BOND        12
            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     4   7 1
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   10  12 2

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