KEGG   COMPOUND: C00385Help
Entry
C00385                      Compound                               

Name
Xanthine
Formula
C5H4N4O2
Exact mass
152.0334
Mol weight
152.1109
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00230  Purine metabolism
map00232  Caffeine metabolism
map01060  Biosynthesis of plant secondary metabolites
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
Module
M00546  Purine degradation, xanthine => urea
Enzyme
1.14.11.48      1.14.13.128     1.14.13.178     1.14.13.179     
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: 3675
ChEBI: 17712 48517
ChEMBL: CHEMBL1424
KNApSAcK: C00019660
PDB-CCD: XAN[PDBj]
3DMET: B00099
NIKKAJI: J2.371J
LinkDB All DBs
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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