KEGG   COMPOUND: C00544Help
Entry
C00544                      Compound                               

Name
Homogentisate;
Homogentisic acid;
2,5-Dihydroxyphenylacetic acid;
2,5-Dihydroxyphenylacetate
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Tyrosine metabolism
Styrene degradation
Metabolic pathways
Microbial metabolism in diverse environments
Module
M00044  
Tyrosine degradation, tyrosine => homogentisate
Enzyme
1.13.11.5       1.13.11.27      1.13.12.-       1.14.13.18      
1.14.13.63      1.14.13.-       2.5.1.115       2.5.1.116       
2.5.1.117       4.1.1.-
Brite
Major components of natural products [BR:br08323]
 Crude drugs
  Pinellia tuber
   C00544  Homogentisate
BRITE hierarchy
Other DBs
CAS: 
451-13-8
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    24.5165  -23.4961
            2   C8y C    25.7271  -24.1979
            3   C8x C    23.3000  -24.1979
            4   C1b C    24.5165  -22.0983
            5   C8x C    25.7271  -25.5955
            6   O1a O    26.9376  -23.4961
            7   C8y C    23.3000  -25.5955
            8   C6a C    25.7329  -21.3966
            9   C8x C    24.5165  -26.2973
            10  O1a O    22.0895  -26.2973
            11  O6a O    26.9434  -22.0983
            12  O6a O    25.7329  -19.9990
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     7  10 1
            10    8  11 1
            11    8  12 2
            12    7   9 1

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