KEGG   DRUG: Orotic acid
Entry
D00055                      Drug                                   
Name
Orotic acid (JAN)
Formula
C5H4N2O4
Exact mass
156.0171
Mol weight
156.0963
Structure
Simcomp
Remark
Same as: C00295
Efficacy
Choleretic
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: 7847123
ChEBI: 16742
PDB-CCD: ORO[PDBj]
LigandBox: D00055
NIKKAJI: J2.359K
KCF data

ATOM        11
            1   C8y C    25.0601  -16.6614
            2   C8x C    23.8493  -17.3598
            3   N4x N    26.2774  -17.3598
            4   C6a C    25.0538  -15.2711
            5   C8y C    23.8493  -18.7691
            6   C8y C    26.2774  -18.7691
            7   O6a O    26.2581  -14.5729
            8   O6a O    23.8428  -14.5792
            9   N4x N    25.0601  -19.4803
            10  O5x O    22.6384  -19.4609
            11  O5x O    27.4881  -19.4609
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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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (9)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (2)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (11)   

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