Pregabalin (CED0002081)

Record Information
Version1.0
Creation Date2016-05-22 05:25:33 UTC
Update Date2026-05-14 16:24:49 UTC
SynCED IDCED0002081
Secondary Accession Numbers
  • CHEM018660
Identification
Common NamePregabalin
ClassSmall Molecule
Description
Pregabalin is an organic compound with the formula C8H17NO2 and an average molecular weight of 159.23 g/mol. Pregabalin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is found in healthcare, pharmaceuticals, and veterinary products as an analgesic and is administered via the oral exposure route. In terms of its biological activity, it acts as a modulator of the voltage-dependent calcium channel subunit alpha-2/delta-1 (CACNA2D1) protein target.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(S)-3-Isobutyl gabaChEBI
3-Isobutyl gabaChEBI
LyricaChEBI
3-(Aminomethyl)-5-methylhexanoic acidHMDB
(S+)-3-isobutyl gabaHMDB
3 Isobutyl gabaHMDB
(R-)-3-Isobutyl gabaHMDB
(S)-3-(Aminomethyl)-5-methylhexanoic acidHMDB
GABA, 3-isobutylHMDB
Chemical FormulaC8H17NO2
Average Molecular Mass159.226 g/mol
Monoisotopic Mass159.126 g/mol
CAS Registry Number148553-50-8
IUPAC Name(3S)-3-(aminomethyl)-5-methylhexanoic acid
Traditional Namepregabalin
SMILESCC(C)C[C@H](CN)CC(O)=O
InChI IdentifierInChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChI KeyAYXYPKUFHZROOJ-ZETCQYMHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGamma amino acids and derivatives
Alternative Parents
Substituents
  • Gamma amino acid or derivatives
  • Medium-chain fatty acid
  • Amino fatty acid
  • Branched fatty acid
  • Fatty acyl
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility11.3 g/LALOGPS
logP-1.4ALOGPS
logP-1.3ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)4.8ChemAxon
pKa (Strongest Basic)10.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity43.68 m³·mol⁻¹ChemAxon
Polarizability18.08 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-001i-9100000000-ff23b21ef03ce99e7cceNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-001i-9100000000-99ad7be9a2ea5e94fae2Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-555454e7e8e11dab591dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-1a52554257d7f4b1c62eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-d48cd6eeef012787cc04Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-4b11df5208caa2e97dd2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-605dc241ffd3a07a9220Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ox-0900000000-fb081cde39dde2ce89f8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-3d95bb5278c7866658a0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-96cebf4a3610cbf02059Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-8900000000-385584fca9e88b90a95bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9800000000-a1c6718b087b06101b8dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9200000000-5f291c943a1d1ae214adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9100000000-5283d02d98611a8c2c38Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-8797f8d2776fcdb4b6d5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-a9ddfcf2032ffc9f53adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ox-0900000000-f61d6c12dadd60399296Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-37e1f57223b0ba6b95f6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9100000000-ea797f17647a8718608dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-96cebf4a3610cbf02059Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ox-0900000000-142ab34d1881e6e3e247Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-1a17fc43dd9f5c2b87dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ox-0900000000-c8bc3f7a09a34bcb2974Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0900000000-bc1483f8830085f4254fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-9b9190f8f17b02b78b33Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-0b566838072d3fa9df2dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-cd0db9f53695ae941bdbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-cc4d6cfe9183919f2341Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-4669d5cf71a18c746354Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-6fd5e3c03bd1a8f94d13Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-012629eb84c523c3cc8fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-605dc241ffd3a07a9220Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-3d95bb5278c7866658a0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9800000000-a1c6718b087b06101b8dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9200000000-5f291c943a1d1ae214adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ox-0900000000-fb081cde39dde2ce89f8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ox-1900000000-0d022bd7f0e9af9f06f8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03ed-9800000000-fe82df47c3ac7c9c39e3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a5a-9000000000-20b509ce412ff8d7fe8cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-0900000000-d07b85e7e0d11beb1781Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-1900000000-6351cf9406ff25f78268Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4m-9300000000-8f1f021c89d9316d47a0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-9a69331cda0e3a9127fbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006x-1900000000-1b2b78d65f2bb4171c8cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-6af719f8e3b08b963f74Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-3900000000-be9b61b004df08699e41Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a5a-9300000000-8ca83d88c3f462e7df44Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-f51a4cccee10793ab4bcNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2170.0 Log mg/kg [1200:3900]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000370Analgesics?Analgesics are a class of synthetic chemicals designed to alleviate pain.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureVoltage-dependent calcium channel alpha2delta subunitO77773Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
4
E-value
0.155698
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
1.0
Statistical Significance
0.0148
Supporting Reference Compounds
451
E-value
115.45
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.333
Statistical Significance
0.0093
Supporting Reference Compounds
40
E-value
72.5555
Click to view 3D structureCytosol aminopeptidaseP28838HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.333
Statistical Significance
0.0091
Supporting Reference Compounds
18
E-value
70.9985
Glutamate transporter homolog structureClick to view 3D structureGlutamate transporter homologO59010Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)Predicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.357
Statistical Significance
3.20e-04
Supporting Reference Compounds
3
E-value
2.49118
Voltage-dependent calcium channel subunit alpha-2/delta-1 structureClick to view 3D structureVoltage-dependent calcium channel subunit alpha-2/delta-1P54289HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
1.0
Statistical Significance
5.80e-04
Supporting Reference Compounds
12
E-value
4.51525
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.333
Statistical Significance
0.0214
Supporting Reference Compounds
42
E-value
166.909
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.276 Low confidence
Statistical Significance
2.60e-04
Supporting Reference Compounds
1
E-value
2.02408
Click to view 3D structureLeucine aminopeptidaseQ29571Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.267 Low confidence
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Click to view 3D structureAminopeptidase BO09175Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.302
Statistical Significance
0.0055
Supporting Reference Compounds
8
E-value
42.5057
Click to view 3D structureGlutathionylspermidine synthaseP90518Crithidia fasciculataPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.265 Low confidence
Statistical Significance
0.0053
Supporting Reference Compounds
1
E-value
41.3379
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.323
Statistical Significance
9.60e-04
Supporting Reference Compounds
31
E-value
7.47353
Glutamine synthetase structureClick to view 3D structureGlutamine synthetaseP0A9C5Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.263 Low confidence
Statistical Significance
5.80e-04
Supporting Reference Compounds
1
E-value
4.51525
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.323
Statistical Significance
0.0039
Supporting Reference Compounds
13
E-value
30.439
Neprilysin structureClick to view 3D structureNeprilysinQ61391Mus musculusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.311
Statistical Significance
0.0178
Supporting Reference Compounds
3
E-value
138.883
Click to view 3D structureCysteine proteaseQ95WR6Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0033
Supporting Reference Compounds
2
E-value
25.8459
Cytosol aminopeptidase structureClick to view 3D structureCytosol aminopeptidaseP00727Bos taurusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0202
Supporting Reference Compounds
1
E-value
157.411
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP04825Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
3.40e-04
Supporting Reference Compounds
1
E-value
2.64687
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.323
Statistical Significance
0.0027
Supporting Reference Compounds
45
E-value
21.4085
Click to view 3D structureAminopeptidase BQ9H4A4HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.379
Statistical Significance
4.00e-04
Supporting Reference Compounds
6
E-value
3.11397
Click to view 3D structureLeucine--tRNA ligaseQ2FXH2Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.245 Low confidence
Statistical Significance
0.0128
Supporting Reference Compounds
1
E-value
99.7249
Thrombospondin-1 structureClick to view 3D structureThrombospondin-1P07996HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.245 Low confidence
Statistical Significance
0.0085
Supporting Reference Compounds
1
E-value
66.094
Click to view 3D structureDihydroxyacetone phosphate acyltransferaseO15228HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0037
Supporting Reference Compounds
1
E-value
28.8042
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0219
Supporting Reference Compounds
53
E-value
170.801
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.323
Statistical Significance
0.0029
Supporting Reference Compounds
26
E-value
22.5763
Concentrations
Not Available
External Links
DrugBank IDDB00230
HMDB IDHMDB0014375
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPregabalin
Chemspider ID4589156
ChEBI ID64356
PubChem Compound ID5486971
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available