KEGG   COMPOUND: C07185Help
Entry
C07185                      Compound                               

Name
Valproic acid
Formula
C8H16O2
Exact mass
144.115
Mol weight
144.2114
Structure
Mol fileKCF fileDB search
Remark
Same as: D00399
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
map04976  Bile secretion
Enzyme
1.14.13.-       1.14.14.-
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Transferases
   4-aminobutyrate aminotransferase
    C07185  Valproic acid
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG01 Valproic acid
      D00399  Valproic acid (USP) <US>
USP drug classification [BR:br08302]
 Anticonvulsants
  Gamma-aminobutyric Acid (GABA) Augmenting Agents
   Valproate
    D00399  Valproic acid (USP)
 Antimigraine Agents
  Prophylactic
   Valproate
    D00399  Valproic acid (USP)
 Bipolar Agents
  Mood Stabilizers
   Valproate
    D00399  Valproic acid (USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D00399  Valproic acid (USP) <US>
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    SSADH
     D00399  Valproic acid (USP) <US>
  Transferases (EC2)
   Aminotransferase
    ABAT
     D00399  Valproic acid (USP) <US>
  Lyases (EC4)
   Carboxy-lyases
    GAD
     D00399  Valproic acid (USP) <US>
Drug classes of therapeutic agents [br08360.html]
 Neurological agents
  D00399
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D00399
BRITE hierarchy
Other DBs
CAS: 99-66-1
PubChem: 9394
ChEBI: 39867
ChEMBL: CHEMBL109
PDB-CCD: 2PP[PDBj]
NIKKAJI: J4.972G
LinkDB All DBs
KCF data Show

ATOM        10
            1   C1c C    25.4573  -18.6784
            2   C1b C    25.4573  -17.3002
            3   C1b C    24.2485  -19.3967
            4   C6a C    26.6604  -19.3967
            5   C1b C    24.2427  -16.5935
            6   C1b C    23.0396  -18.6784
            7   O6a O    26.6604  -20.7925
            8   O6a O    27.8692  -18.6784
            9   C1a C    23.0339  -17.3002
            10  C1a C    21.8367  -19.3967
BOND        9
            1     1   2 1
            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     6  10 1

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