KEGG   COMPOUND: C05585Help
Entry
C05585                      Compound                               

Name
Gentisate aldehyde;
2,5-Dihydroxybenzaldehyde
Formula
C7H6O3
Exact mass
138.0317
Mol weight
138.1207
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.1.29        1.2.3.1         1.13.12.-       4.1.1.-
Other DBs
PubChem: 7911
ChEBI: 28508
ChEMBL: CHEMBL243186
3DMET: B00799
NIKKAJI: J7.451I
KCF data Show

ATOM        10
            1   C8x C    17.8500  -23.0300
            2   C8y C    17.8500  -24.4300
            3   C8x C    19.0624  -25.1300
            4   C8x C    20.2749  -24.4300
            5   C8y C    20.2749  -23.0300
            6   C8y C    19.0624  -22.3300
            7   O1a O    16.6376  -25.1300
            8   O1a O    21.5060  -22.3190
            9   C4a C    19.0624  -20.9302
            10  O4a O    17.8332  -20.2203
BOND        10
            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     2   7 1
            8     5   8 1
            9     6   9 1
            10    9  10 2

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