KEGG   COMPOUND: C00633
Entry
C00633                      Compound                               

Name
4-Hydroxybenzaldehyde;
p-Hydroxybenzaldehyde
Formula
C7H6O2
Exact mass
122.0368
Mol weight
122.1213
Structure
Reaction
Pathway
map00363  Bisphenol degradation
map00623  Toluene degradation
map00627  Aminobenzoate degradation
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.3.19        1.2.1.7         1.2.1.28        1.2.1.64        
1.2.1.96        1.3.-.-         1.14.99.-       1.17.9.1        
4.1.1.7         4.1.2.11
Other DBs
CAS: 123-08-0
PubChem: 3906
ChEBI: 17597
ChEMBL: CHEMBL14193
KNApSAcK: C00002657
PDB-CCD: HBA[PDBj]
3DMET: B00151
NIKKAJI: J43.312H
LinkDB
KCF data

ATOM        9
            1   C8y C    28.0314  -18.4596
            2   C8x C    26.8219  -19.1573
            3   C8x C    29.2539  -19.1573
            4   C4a C    28.0250  -17.0706
            5   C8x C    26.8219  -20.5653
            6   C8x C    29.2539  -20.5653
            7   O4a O    29.2283  -16.3732
            8   C8y C    28.0314  -21.2759
            9   O1a O    28.0250  -22.6711
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     8   9 1
            9     6   8 2

» Japanese version

KEGG   COMPOUND: C00755
Entry
C00755                      Compound                               

Name
4-Hydroxy-3-methoxy-benzaldehyde;
Vanillin;
Vanillaldehyde;
4-Hydroxy-3-methoxybenzaldehyde
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.1473
Structure
Remark
Same as: D00091
Reaction
Pathway
map00627  Aminobenzoate degradation
map00998  Biosynthesis of various secondary metabolites - part 2
map01061  Biosynthesis of phenylpropanoids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.3.38        1.2.1.67        1.2.3.9         1.11.1.16       
1.13.11.43      1.13.11.88      2.6.1.119       4.1.2.61
Other DBs
CAS: 121-33-5
PubChem: 4017
ChEBI: 18346
ChEMBL: CHEMBL13883
KNApSAcK: C00002683 C00029531
PDB-CCD: V55[PDBj]
3DMET: B00167
NIKKAJI: J2.923H
LinkDB
KCF data

ATOM        11
            1   C8y C    25.4479  -19.7481
            2   C8x C    25.4479  -18.3491
            3   C8y C    24.2422  -20.4445
            4   O2a O    26.6595  -20.4445
            5   C8y C    24.2422  -17.6467
            6   C8x C    23.0249  -19.7481
            7   O1a O    24.2422  -21.8493
            8   C8x C    23.0249  -18.3491
            9   C4a C    24.2422  -16.2478
            10  O4a O    23.0306  -15.5455
            11  C1a C    27.8804  -19.7365
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     5   8 1
            8     5   9 1
            9     9  10 2
            10    6   8 2
            11    4  11 1

» Japanese version

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