KEGG   COMPOUND: C00261
Entry
C00261                      Compound                               
Name
Benzaldehyde;
Benzoic aldehyde
Formula
C7H6O
Exact mass
106.0419
Mol weight
106.12
Structure
Remark
Same as: D02314
Reaction
R00027 R01419 R01420 R01763 R01764 R01766 R01767
Pathway
map00623  Toluene degradation
map00627  Aminobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00538  Toluene degradation, toluene => benzoate
Enzyme
1.1.1.90        1.2.1.7         1.2.1.28        4.1.1.7         
4.1.2.10        4.1.2.26        4.1.2.38
Other DBs
CAS: 100-52-7
PubChem: 3559
ChEBI: 17169
KNApSAcK: C00034452
PDB-CCD: HBX[PDBj]
NIKKAJI: J4.010J
LinkDB
KCF data

ATOM        8
            1   C8y C    27.9972  -19.2049
            2   C8x C    26.7948  -19.8957
            3   C8x C    29.2191  -19.8957
            4   C4a C    27.9909  -17.8103
            5   C8x C    26.7948  -21.3029
            6   C8x C    29.2191  -21.3029
            7   O4a O    29.1935  -17.1131
            8   C8x C    27.9972  -22.0193
BOND        8
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     6   8 1

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