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
map00940  Phenylpropanoid biosynthesis
map00950  Isoquinoline alkaloid biosynthesis
map00999  Biosynthesis of secondary metabolites - unclassified
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
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
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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