KEGG   DRUG: Valproic acid
Entry
D00399                      Drug                                   
Name
Valproic acid (USP);
Depakene (TN)
Product
  Generic
Formula
C8H16O2
Exact mass
144.115
Mol weight
144.2114
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG02035  Fatty acid antiepileptic
Remark
Same as: C07185
ATC code: N03AG01
Chemical structure group: DG00849
Product (DG00849): D00399<US> D00304<US> D00710<JP/US>
Efficacy
Anticonvulsant
Comment
Fatty acid derivative
Valproic acid is contraindicated in patients with known urea cycle disorders [DS:H00164 H00185 H00186 H00187 H01028 H01032]
Target
ABAT [HSA:18] [KO:K13524]
SSADH [HSA:7915] [KO:K00139]
GAD [HSA:2571 2572] [KO:K01580]
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
  Pathway
hsa04020  Calcium signaling pathway
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
map07036  Calcium channel blocking drugs
map07048  Antimigraines
Other map
map00982  Drug metabolism - cytochrome P450
Brite
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
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
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
Other DBs
CAS: 99-66-1
PubChem: 7847465
ChEBI: 39867
PDB-CCD: 2PP[PDBj]
LigandBox: D00399
NIKKAJI: J4.972G
LinkDB
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

» Japanese version   » Back

KEGG   DRUG: Divalproex sodium
Entry
D00304                      Drug                                   
Name
Divalproex sodium (USP);
Valproate semisodium (INN);
Depakote (TN)
Product
  Generic
DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (A-S Medication Solutions), DIVALPROEX SODIUM (ATLANTIC BIOLOGICALS CORP.), DIVALPROEX SODIUM (ATLANTIC BIOLOGICALS CORP.), DIVALPROEX SODIUM (Ajanta Pharma USA), DIVALPROEX SODIUM (American Health Packaging), DIVALPROEX SODIUM (American Health Packaging), DIVALPROEX SODIUM (American Health Packaging), DIVALPROEX SODIUM (American Health Packaging), DIVALPROEX SODIUM (American Health Packaging), DIVALPROEX SODIUM (Amneal Pharmaceuticals LLC), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aphena Pharma Solutions - Tennessee), DIVALPROEX SODIUM (Aurobindo Pharma Limited), DIVALPROEX SODIUM (Aurobindo Pharma Limited), DIVALPROEX SODIUM (AvPAK), DIVALPROEX SODIUM (BluePoint Laboratories), DIVALPROEX SODIUM (BluePoint Laboratories), DIVALPROEX SODIUM (Bryant Ranch Prepack), DIVALPROEX SODIUM (Bryant Ranch Prepack), DIVALPROEX SODIUM (Bryant Ranch Prepack), DIVALPROEX SODIUM (Bryant Ranch Prepack), DIVALPROEX SODIUM (Cadila Healthcare Limited), DIVALPROEX SODIUM (Cadila Healthcare Limited), DIVALPROEX SODIUM (Cadila Healthcare Limited), DIVALPROEX SODIUM (Cardinal Health), DIVALPROEX SODIUM (Cardinal Health), DIVALPROEX SODIUM (Cardinal Health), DIVALPROEX SODIUM (Cardinal Health), DIVALPROEX SODIUM (Cardinal Health), DIVALPROEX SODIUM (Cardinal Health 107), DIVALPROEX SODIUM (Clinical Solutions Wholesale), DIVALPROEX SODIUM (DIRECT RX), DIVALPROEX SODIUM (Denton Pharma), DIVALPROEX SODIUM (Denton Pharma), DIVALPROEX SODIUM (DirectRx), DIVALPROEX SODIUM (Dr. Reddy's Laboratories), DIVALPROEX SODIUM (Dr. Reddy's Laboratories), DIVALPROEX SODIUM (Dr. Reddy's Laboratories), DIVALPROEX SODIUM (Dr.Reddy's Laboratories Limited), DIVALPROEX SODIUM (Lupin Pharmaceuticals), DIVALPROEX SODIUM (Lupin Pharmaceuticals), DIVALPROEX SODIUM (Major Pharmaceuticals), DIVALPROEX SODIUM (Major Pharmaceuticals), DIVALPROEX SODIUM (Major Pharmaceuticals), DIVALPROEX SODIUM (Major Pharmaceuticals), DIVALPROEX SODIUM (Major Pharmaceuticals), DIVALPROEX SODIUM (Mylan Institutional), DIVALPROEX SODIUM (Mylan Pharmaceuticals), DIVALPROEX SODIUM (NCS HealthCare of KY), DIVALPROEX SODIUM (NCS HealthCare of KY), DIVALPROEX SODIUM (NCS HealthCare of KY), DIVALPROEX SODIUM (NCS HealthCare of KY), DIVALPROEX SODIUM (NorthStar Rx LLC), DIVALPROEX SODIUM (Northwind Pharmaceuticals), DIVALPROEX SODIUM (NuCare Pharmaceuticals), DIVALPROEX SODIUM (NuCare Pharmceuticals), DIVALPROEX SODIUM (Preferred Pharmaceuticals), DIVALPROEX SODIUM (Preferred Pharmaceuticals), DIVALPROEX SODIUM (Preferred Pharmaceuticals), DIVALPROEX SODIUM (Preferred Pharmaceuticals), DIVALPROEX SODIUM (Proficient Rx LP), DIVALPROEX SODIUM (Quality Care Products), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (REMEDYREPACK), DIVALPROEX SODIUM (RedPharm Drug), DIVALPROEX SODIUM (RedPharm Drug), DIVALPROEX SODIUM (Rising Health), DIVALPROEX SODIUM (Safecor Health), DIVALPROEX SODIUM (Sun Pharmaceutical Industries), DIVALPROEX SODIUM (Unichem Pharmaceuticals (USA)), DIVALPROEX SODIUM (Unichem Pharmaceuticals (USA)), DIVALPROEX SODIUM (Upsher-Smith Laboratories), DIVALPROEX SODIUM (Wockhardt USA LLC.), DIVALPROEX SODIUM (Zydus Pharmaceuticals (USA)), DIVALPROEX SODIUM (Zydus Pharmaceuticals (USA)), DIVALPROEX SODIUM (Zydus Pharmaceuticals (USA))
Formula
(C8H15O2. Na)n. (C8H16O2)m
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG02035  Fatty acid antiepileptic
Remark
ATC code: N03AG01
Chemical structure group: DG00849
Product (DG00849): D00399<US> D00304<US> D00710<JP/US>
Efficacy
Anticonvulsant
  Disease
Bipolar disorder [DS:H01653]
Comment
Fatty acid derivative
Valproic acid is contraindicated in patients with known urea cycle disorders [DS:H00164 H00185 H00186 H00187 H01028 H01032]
Target
ABAT [HSA:18] [KO:K13524]
SSADH [HSA:7915] [KO:K00139]
GAD [HSA:2571 2572] [KO:K01580]
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
  Pathway
hsa04020  Calcium signaling pathway
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
map07036  Calcium channel blocking drugs
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG01 Valproic acid
      D00304  Divalproex sodium (USP) <US>
USP drug classification [BR:br08302]
 Anticonvulsants
  Anticonvulsants, Other
   Divalproex
    D00304  Divalproex sodium (USP)
 Antimigraine Agents
  Antimigraine Agents, Other
   Divalproex
    D00304  Divalproex sodium (USP)
 Bipolar Agents
  Mood Stabilizers
   Divalproex
    D00304  Divalproex sodium (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
     D00304  Divalproex sodium
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
     D00304  Divalproex sodium
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D00304  Divalproex sodium (USP) <US>
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    SSADH
     D00304  Divalproex sodium (USP) <US>
  Transferases (EC2)
   Aminotransferase
    ABAT
     D00304  Divalproex sodium (USP) <US>
  Lyases (EC4)
   Carboxy-lyases
    GAD
     D00304  Divalproex sodium (USP) <US>
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00304
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
Other DBs
CAS: 76584-70-8
PubChem: 7847370
ChEBI: 4667
LigandBox: D00304
LinkDB
KCF data

ATOM        21
            1   C1c C    22.5400  -21.0000
            2   C1b C    22.5400  -19.6000
            3   C1b C    21.2800  -21.7000
            4   C6a C    23.7300  -21.7000
            5   C1b C    21.2800  -18.9000
            6   C1b C    20.0900  -21.0000
            7   O6a O    23.7300  -23.1000
            8   O6a O    24.9200  -21.0000
            9   C1a C    20.0900  -19.6000
            10  C1a C    18.9000  -21.7000
            11  C1c C    33.1100  -21.2100
            12  C1b C    33.1100  -19.8100
            13  C1b C    31.8500  -21.9100
            14  C6a C    34.3000  -21.9100
            15  C1b C    31.8500  -19.1100
            16  C1b C    30.6600  -21.2100
            17  O6a O    34.3000  -23.3100 #-
            18  O6a O    35.4900  -21.2100
            19  C1a C    30.6600  -19.8100
            20  C1a C    29.4700  -21.9100
            21  Z   Na   35.9100  -23.3800 #+
BOND        18
            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
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   13  16 1
            15   14  17 1
            16   14  18 2
            17   15  19 1
            18   16  20 1
BRACKET     1    16.6600  -24.1500   16.6600  -18.2700
            1    25.6900  -18.2700   25.6900  -24.1500
            1  m
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10
 REPEAT    1
            2    27.8600  -24.3600   27.8600  -18.1300
            2    37.4500  -18.1300   37.4500  -24.3600
            2  n
 ORIGINAL  2   11  12  13  14  15  16  17  18  19  20  21
 REPEAT    2

» Japanese version   » Back

KEGG   DRUG: Valproate sodium
Entry
D00710                      Drug                                   
Name
Valproate sodium (USAN);
Sodium valproate (JP18);
Depakene (TN);
Selenica (TN)
Product
  Generic
Formula
C8H15O2. Na
Exact mass
166.097
Mol weight
166.1933
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG02035  Fatty acid antiepileptic
Remark
Therapeutic category: 1139 1179
ATC code: N03AG01
Chemical structure group: DG00849
Product (DG00849): D00399<US> D00304<US> D00710<JP/US>
Efficacy
Anticonvulsant, Antimanic, Antimigraine, Antiepileptic
Comment
Fatty acid derivative
Target
ABAT [HSA:18] [KO:K13524]
SSADH [HSA:7915] [KO:K00139]
GAD [HSA:2571 2572] [KO:K01580]
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
  Pathway
hsa04020  Calcium signaling pathway
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
map07036  Calcium channel blocking drugs
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG01 Valproic acid
      D00710  Valproate sodium (USAN) <JP/US>
USP drug classification [BR:br08302]
 Anticonvulsants
  Anticonvulsants, Other
   Valproic Acid
    D00710  Valproate sodium (USAN)
 Antimigraine Agents
  Antimigraine Agents, Other
   Valproic Acid
    D00710  Valproate sodium (USAN)
 Bipolar Agents
  Mood Stabilizers
   Valproic Acid
    D00710  Valproate sodium (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   113  Antiepileptics
    1139  Others
     D00710  Valproate sodium (USAN); Sodium valproate (JP18)
   117  Psychotropics
    1179  Others
     D00710  Valproate sodium (USAN); Sodium valproate (JP18)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
     D00710  Valproate sodium
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
     D00710  Valproate sodium
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D00710  Valproate sodium (USAN) <JP/US>
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    SSADH
     D00710  Valproate sodium (USAN) <JP/US>
  Transferases (EC2)
   Aminotransferase
    ABAT
     D00710  Valproate sodium (USAN) <JP/US>
  Lyases (EC4)
   Carboxy-lyases
    GAD
     D00710  Valproate sodium (USAN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00710  Sodium valproate
  D00710  Sodium valproate tablets
  D00710  Sodium valproate extended-release tablets A
  D00710  Sodium valproate extended-release tablets B
  D00710  Sodium valproate syrup
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00710
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
Other DBs
CAS: 1069-66-5
PubChem: 7847775
ChEBI: 9925
LigandBox: D00710
NIKKAJI: J7.236B
LinkDB
KCF data

ATOM        11
            1   C1c C    24.8619  -18.6957
            2   C1b C    24.8619  -17.3175
            3   C1b C    23.6530  -19.4139
            4   C6a C    26.0650  -19.4139
            5   C1b C    23.6472  -16.6109
            6   C1b C    22.4441  -18.6957
            7   O6a O    27.2738  -18.6957
            8   O6a O    26.0650  -20.8098 #-
            9   C1a C    22.4384  -17.3175
            10  C1a C    21.2412  -19.4139
            11  Z   Na   28.5001  -20.7280 #+
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 2
            7     4   8 1
            8     5   9 1
            9     6  10 1

» Japanese version   » Back

KEGG   DRUG: Calcium valproate
Entry
D08667                      Drug                                   
Name
Calcium valproate;
Valproic acid calcium salt;
Convulsofin (TN)
Formula
(C8H15O2)2. Ca
Exact mass
326.177
Mol weight
326.485
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG02035  Fatty acid antiepileptic
Remark
ATC code: N03AG01
Chemical structure group: DG00849
Product (DG00849): D00399<US> D00304<US> D00710<JP/US>
Efficacy
Anticonvulsant
Comment
Fatty acid derivative
Valproic acid is contraindicated in patients with known urea cycle disorders [DS:H00164 H00185 H00186 H00187 H01028 H01032]
Target
ABAT [HSA:18] [KO:K13524]
SSADH [HSA:7915] [KO:K00139]
GAD [HSA:2571 2572] [KO:K01580]
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
  Pathway
hsa04020  Calcium signaling pathway
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG01 Valproic acid
      D08667  Calcium valproate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
     D08667  Calcium valproate
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
     D08667  Calcium valproate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D08667  Calcium valproate
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    SSADH
     D08667  Calcium valproate
  Transferases (EC2)
   Aminotransferase
    ABAT
     D08667  Calcium valproate
  Lyases (EC4)
   Carboxy-lyases
    GAD
     D08667  Calcium valproate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
Other DBs
CAS: 33433-82-8
PubChem: 96025350
LigandBox: D08667
NIKKAJI: J308.487F
LinkDB
KCF data

ATOM        21
            1   Z   Ca   27.9300  -26.0400 #2+
            2   C6a C    24.8500  -26.5300
            3   O6a O    26.0400  -27.2300 #-
            4   C1c C    23.6600  -27.2300
            5   O6a O    24.8500  -25.1300
            6   C1b C    22.4700  -26.5300
            7   C1b C    23.6600  -28.6300
            8   C1b C    22.4700  -29.3300
            9   C1a C    22.4700  -30.7300
            10  C1b C    21.2800  -27.2300
            11  C1a C    21.2800  -28.6300
            12  C6a C    31.6400  -26.5300
            13  O6a O    30.4500  -27.2300 #-
            14  C1c C    32.8300  -27.2300
            15  O6a O    31.6400  -25.1300
            16  C1b C    34.0200  -26.5300
            17  C1b C    32.8300  -28.6300
            18  C1b C    34.0200  -29.3300
            19  C1a C    34.0200  -30.7300
            20  C1b C    35.2100  -27.2300
            21  C1a C    35.2100  -28.6300
BOND        18
            1     2   3 1
            2     2   4 1
            3     2   5 2
            4     4   6 1
            5     4   7 1
            6     7   8 1
            7     8   9 1
            8     6  10 1
            9    10  11 1
            10   12  13 1
            11   12  14 1
            12   12  15 2
            13   14  16 1
            14   14  17 1
            15   17  18 1
            16   18  19 1
            17   16  20 1
            18   20  21 1

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