KEGG   COMPOUND: C00385Help
Entry
C00385                      Compound                               
Name
Xanthine
Formula
C5H4N4O2
Exact mass
152.0334
Mol weight
152.1109
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Purine metabolism
Caffeine metabolism
Biosynthesis of plant secondary metabolites
Biosynthesis of alkaloids derived from histidine and purine
Metabolic pathways
Biosynthesis of secondary metabolites
Microbial metabolism in diverse environments
Enzyme
1.13.12.-       1.14.13.128     1.17.1.4        1.17.3.2        
2.4.2.1         2.4.2.8         2.4.2.22        2.4.2.-         
3.2.2.1         3.5.2.-         3.5.4.3
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C00385  Xanthine
BRITE hierarchy
Other DBs
CAS: 
69-89-6
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        11
            1   C8y C    24.1500  -16.1000
            2   C8y C    24.1500  -17.5000
            3   C8y C    25.4100  -15.4000
            4   N4x N    22.8900  -15.6800
            5   N4x N    25.4100  -18.2000
            6   N5x N    22.8900  -17.9200
            7   N4x N    26.6000  -16.1000
            8   O5x O    25.4100  -14.0000
            9   C8x C    22.0500  -16.8000
            10  C8y C    26.6000  -17.4300
            11  O5x O    27.8600  -18.1300
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 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10   10  11 2
            11    6   9 2
            12    7  10 1

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