KEGG   COMPOUND: C00261
Entry
C00261                      Compound                               
Name
Benzaldehyde;
Benzoic aldehyde
Formula
C7H6O
Exact mass
106.0419
Mol weight
106.1219
Structure
Remark
Same as: D02314
Reaction
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]
3DMET: B00077
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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