KEGG   COMPOUND: C07185
Entry
C07185                      Compound                               
Name
Valproic acid;
2-Propylpentanoic acid
Formula
C8H16O2
Exact mass
144.115
Mol weight
144.2114
Structure
Remark
Same as: D00399
Reaction
R08324 R08325 R08326 R08327 R08336 R08337
Pathway
map00982  Drug metabolism - cytochrome P450
map04976  Bile secretion
Enzyme
1.14.14.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C07185  2-Propylpentanoic 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
  Anticonvulsants, Other
   Valproic Acid
    D00399  Valproic acid (USP)
 Antimigraine Agents
  Antimigraine Agents, Other
   Valproic Acid
    D00399  Valproic acid (USP)
 Bipolar Agents
  Mood Stabilizers
   Valproic Acid
    D00399  Valproic acid (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
     D00399  Valproic acid
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
     D00399  Valproic acid
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   D00399  Valproic acid
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>
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00399
Other DBs
CAS: 99-66-1
PubChem: 9394
ChEBI: 39867
LIPIDMAPS: LMFA01020291
PDB-CCD: 2PP[PDBj]
NIKKAJI: J4.972G
KCF data

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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Pathway (2)   
   KEGG PATHWAY (2)   
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (6)   
   KEGG REACTION (6)   
Gene (89)   
   KEGG GENES (89)   
All databases (105)   

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