KEGG   COMPOUND: C05610Help
Entry
C05610                      Compound                               

Name
Sinapoyl aldehyde;
Sinapaldehyde
Formula
C11H12O4
Exact mass
208.0736
Mol weight
208.2106
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00039  Monolignol biosynthesis, phenylalanine/tyrosine => monolignol
Enzyme
1.1.1.195       1.2.1.44        1.2.1.68        2.1.1.68
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Sinapate derivatives
    C05610  Sinapoyl aldehyde
BRITE hierarchy
Other DBs
CAS: 4206-58-0
PubChem: 7932
ChEBI: 27949
ChEMBL: CHEMBL225067
KNApSAcK: C00002775 C00031384
PDB-CCD: SNY[PDBj]
3DMET: B00807
NIKKAJI: J329.696B
KCF data Show

ATOM        15
            1   C8y C    23.1700  -20.0200
            2   C8x C    23.1700  -21.4200
            3   C8y C    24.3824  -22.1200
            4   C8y C    25.5949  -21.4200
            5   C8y C    25.5949  -20.0200
            6   C8x C    24.3824  -19.3200
            7   O2a O    26.8260  -19.3090
            8   C1a C    26.8260  -17.9090
            9   O2a O    24.3824  -23.5198
            10  C1a C    23.1532  -24.2297
            11  O1a O    26.8260  -22.1310
            12  C2b C    21.9576  -19.3200
            13  C2b C    20.7621  -20.0104
            14  C4a C    19.5747  -19.3249
            15  O4a O    19.5747  -17.9249
BOND        15
            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     5   7 1
            8     7   8 1
            9     3   9 1
            10    9  10 1
            11    4  11 1
            12    1  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2

» Japanese version

DBGET integrated database retrieval system