KEGG   COMPOUND: C00295
Entry
C00295                      Compound                               
Name
Orotate;
Orotic acid;
Uracil-6-carboxylic acid
Formula
C5H4N2O4
Exact mass
156.0171
Mol weight
156.10
Structure
Remark
Same as: D00055
Reaction
Pathway
map00240  Pyrimidine metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
Module
M00051  De novo pyrimidine biosynthesis, glutamine (+ PRPP) => UMP
Enzyme
1.3.1.14        1.3.1.15        1.3.5.2         1.3.98.1        
2.4.2.10
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Orotic acid
    D00055  Orotic acid (JAN)
Other DBs
CAS: 65-86-1
PubChem: 3589
ChEBI: 16742
KNApSAcK: C00007300 C00019689
PDB-CCD: ORO[PDBj]
NIKKAJI: J2.359K
KCF data

ATOM        11
            1   C8y C    25.0599  -16.6612
            2   C8x C    23.8491  -17.3596
            3   N4x N    26.2772  -17.3596
            4   C6a C    25.0536  -15.2710
            5   C8y C    23.8491  -18.7689
            6   C8y C    26.2772  -18.7689
            7   O6a O    26.2579  -14.5728
            8   O6a O    23.8426  -14.5791
            9   N4x N    25.0599  -19.4801
            10  O5x O    22.6382  -19.4607
            11  O5x O    27.4879  -19.4607
BOND        11
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6   9 1

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