Leucine

Identification

Summary

Leucine is an amino acid commonly found as a component of total parenteral nutrition.

Brand Names
Aminosyn II 7 %, Sulfite-free, Aminosyn-PF 7%, Clinimix 2.75/5, Clinimix E 2.75/5, Clinisol 15, Freamine 6.9, Freamine III 10, Hepatamine 8, Nephramine, Olimel, Periolimel, Plenamine, Premasol, Primene, Procalamine 3, Prosol, Travasol 10, Trophamine 10 %
Generic Name
Leucine
DrugBank Accession Number
DB00149
Background

An essential branched-chain amino acid important for hemoglobin formation.

Type
Small Molecule
Groups
Investigational, Nutraceutical
Structure
Weight
Average: 131.1729
Monoisotopic: 131.094628665
Chemical Formula
C6H13NO2
Synonyms
  • (2S)-2-Amino-4-methylpentanoic acid
  • (2S)-alpha-2-Amino-4-methylvaleric acid
  • (2S)-alpha-Leucine
  • (S)-(+)-Leucine
  • (S)-Leucine
  • 2-Amino-4-methylvaleric acid
  • L
  • L-Leucin
  • L-Leucine
  • L-Leuzin
  • Leu
  • Leucine
External IDs
  • FEMA NO. 3297

Pharmacology

Indication

Indicated to assist in the prevention of the breakdown of muscle proteins that sometimes occur after trauma or severe stress.

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to treatHypoalbuminemiaCombination Product in combination with: Isoleucine (DB00167), Valine (DB00161)••• •••••••••••••••••• ••••••• •••••••• •••• ••••••
Associated Therapies
Contraindications & Blackbox Warnings
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Pharmacodynamics

An essential amino acid. (Claim) Leucine helps with the regulation of blood-sugar levels, the growth and repair of muscle tissue (such as bones, skin and muscles), growth hormone production, wound healing as well as energy regulation. It can assist to prevent the breakdown of muscle proteins that sometimes occur after trauma or severe stress. It may also be beneficial for individuals with phenylketonuria - a condition in which the body cannot metabolize the amino acid phenylalanine

Mechanism of action

This group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates. The principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic. There are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological problems are due to poor formation of myelin in the CNS.

TargetActionsOrganism
UProbable leucine--tRNA ligase, mitochondrialNot AvailableHumans
ULeucine carboxyl methyltransferase 2Not AvailableHumans
ULeucine carboxyl methyltransferase 1Not AvailableHumans
ULeucine--tRNA ligase, cytoplasmicNot AvailableHumans
UBranched-chain-amino-acid aminotransferase, mitochondrialNot AvailableHumans
UBranched-chain-amino-acid aminotransferase, cytosolicNot AvailableHumans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
PathwayCategory
2-Methyl-3-hydroxybutryl-CoA Dehydrogenase DeficiencyDisease
3-Methylglutaconic Aciduria Type IDisease
beta-Ketothiolase DeficiencyDisease
Clarithromycin Action PathwayDrug action
Roxithromycin Action PathwayDrug action
Gentamicin Action PathwayDrug action
Oxytetracycline Action PathwayDrug action
Tetracycline Action PathwayDrug action
Isovaleric AcidemiaDisease
Arbekacin Action PathwayDrug action
Troleandomycin Action PathwayDrug action
Josamycin Action PathwayDrug action
Glutaminolysis and CancerDisease
3-Hydroxy-3-methylglutaryl-CoA Lyase DeficiencyDisease
Methylmalonic AciduriaDisease
Telithromycin Action PathwayDrug action
Amikacin Action PathwayDrug action
Spectinomycin Action PathwayDrug action
Demeclocycline Action PathwayDrug action
Doxycycline Action PathwayDrug action
Minocycline Action PathwayDrug action
Lymecycline Action PathwayDrug action
Isobutyryl-CoA Dehydrogenase DeficiencyDisease
Tigecycline Action PathwayDrug action
Paromomycin Action PathwayDrug action
Methacycline Action PathwayDrug action
Lincomycin Action PathwayDrug action
Chloramphenicol Action PathwayDrug action
Valine, Leucine, and Isoleucine DegradationMetabolic
3-Methylglutaconic Aciduria Type IIIDisease
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
L-Leucine hydrochlorideN39KV97633760-84-9XKZZNHPZEPVUQK-JEDNCBNOSA-N
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
2.5% Travasol Amino Acid Injection With Electrolytes In 10% DextroseLeucine (182.5 mg / 100 mL) + Alanine (520 mg / 100 mL) + Arginine (290 mg / 100 mL) + Dextrose, unspecified form (10 g / 100 mL) + Dipotassium phosphate (130.5 mg / 100 mL) + Glycine (260 mg / 100 mL) + Histidine (120 mg / 100 mL) + Isoleucine (150 mg / 100 mL) + Lysine hydrochloride (145 mg / 100 mL) + Magnesium chloride (25.5 mg / 100 mL) + Methionine (100 mg / 100 mL) + Phenylalanine (140 mg / 100 mL) + Proline (170 mg / 100 mL) + Serine (125 mg / 100 mL) + Sodium acetate (170 mg / 100 mL) + Sodium chloride (29.3 mg / 100 mL) + Threonine (105 mg / 100 mL) + Tryptophan (45 mg / 100 mL) + Tyrosine (10 mg / 100 mL) + Valine (145 mg / 100 mL)SolutionIntravenousBaxter Corporation Clintec Nutrition Division1996-12-312015-08-05Canada flag
2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose ClinimixL-Leucine hydrochloride (155 mg / 100 mL) + Alanine (520 mg / 100 mL) + Arginine (260 mg / 100 mL) + Dextrose, unspecified form (10 g / 100 mL) + Dipotassium phosphate (130.5 mg / 100 mL) + Glycine (520 mg / 100 mL) + Histidine (110 mg / 100 mL) + Isoleucine (120 mg / 100 mL) + Lysine hydrochloride (145 mg / 100 mL) + Magnesium chloride (25.5 mg / 100 mL) + Methionine (145 mg / 100 mL) + Phenylalanine hydrochloride (155 mg / 100 mL) + Proline (105 mg / 100 mL) + Sodium acetate (170 mg / 100 mL) + Sodium chloride (29.3 mg / 100 mL) + Threonine (105 mg / 100 mL) + Tryptophan (45 mg / 100 mL) + Tyrosine (10 mg / 100 mL) + Valine (115 mg / 100 mL)SolutionIntravenousBaxter Corporation Clintec Nutrition Division1993-12-312015-08-05Canada flag
2.5% Travasol Amino Acid Injection Without Electrolytes In 10% Dextrose QuickmixL-Leucine hydrochloride (155 mg / 100 mL) + Alanine (520 mg / 100 mL) + Arginine (260 mg / 100 mL) + Dextrose, unspecified form (10 g / 100 mL) + Glycine (520 mg / 100 mL) + Histidine (110 mg / 100 mL) + Isoleucine (120 mg / 100 mL) + Lysine hydrochloride (195 mg / 100 mL) + Methionine (195 mg / 100 mL) + Phenylalanine hydrochloride (155 mg / 100 mL) + Proline (105 mg / 100 mL) + Threonine (105 mg / 100 mL) + Tryptophan (45 mg / 100 mL) + Tyrosine (10 mg / 100 mL) + Valine (115 mg / 100 mL)SolutionIntravenousBaxter Corporation Clintec Nutrition Division1995-12-312007-08-02Canada flag
2.5%travasol Amino Acid InJ.W.eleC.W.25%dexLeucine (182.5 mg / 100 mL) + Alanine (520 mg / 100 mL) + Arginine (290 mg / 100 mL) + Dextrose, unspecified form (25 g / 100 mL) + Dipotassium phosphate (130.5 mg / 100 mL) + Glycine (260 mg / 100 mL) + Histidine (120 mg / 100 mL) + Isoleucine (150 mg / 100 mL) + Lysine hydrochloride (145 mg / 100 mL) + Magnesium chloride (25.5 mg / 100 mL) + Methionine (100 mg / 100 mL) + Phenylalanine (140 mg / 100 mL) + Proline (170 mg / 100 mL) + Serine (125 mg / 100 mL) + Sodium acetate (170 mg / 100 mL) + Sodium chloride (29.3 mg / 100 mL) + Threonine (105 mg / 100 mL) + Tryptophan (45 mg / 100 mL) + Tyrosine (10 mg / 100 mL) + Valine (145 mg / 100 mL)LiquidIntravenousClintec Nutrition Company1996-07-301998-08-13Canada flag
2.75% Travas. Amino Acid InJ.W.elecw.25%dexLeucine (201 mg / 100 mL) + Alanine (570 mg / 100 mL) + Arginine (316 mg / 100 mL) + Dextrose, unspecified form (25 g / 100 mL) + Dipotassium phosphate (261 mg / 100 mL) + Glycine (283 mg / 100 mL) + Histidine (132 mg / 100 mL) + Isoleucine (165 mg / 100 mL) + Lysine hydrochloride (159.5 mg / 100 mL) + Magnesium chloride (51 mg / 100 mL) + Methionine (110 mg / 100 mL) + Phenylalanine (154 mg / 100 mL) + Proline (187 mg / 100 mL) + Serine (137.5 mg / 100 mL) + Sodium acetate (215.5 mg / 100 mL) + Sodium chloride (112 mg / 100 mL) + Threonine (115.5 mg / 100 mL) + Tryptophan (49.5 mg / 100 mL) + Tyrosine (11 mg / 100 mL) + Valine (159.5 mg / 100 mL)LiquidIntravenousClintec Nutrition Company1996-07-301998-08-13Canada flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
ASCE plus Derma Signal Kit SRLVLeucine (0.01 mg/20mg) + Leucine (0.0025 g/5.0mL) + Isoleucine (0.01 mg/20mg) + Isoleucine (0.0025 g/5.0mL)KitTopicalExocobio Inc.2021-10-01Not applicableUS flag
ASCE plus Derma Signal Kit SRLVLeucine (0.01 mg/20mg) + Leucine (0.0025 g/5.0mL) + Isoleucine (0.01 mg/20mg) + Isoleucine (0.0025 g/5.0mL)KitTopicalExocobio Inc.2021-10-01Not applicableUS flag
ASCE plus Derma Signal Kit SRLV SLeucine (0.0008 mg/20mg) + Leucine (0.0002 g/5.0mL) + Isoleucine (0.0006 mg/20mg) + Isoleucine (0.0001 g/5.0mL)KitTopicalExocobio Inc.2019-03-01Not applicableUS flag
ASCE plus Derma Signal Kit SRLV SLeucine (0.0008 mg/20mg) + Leucine (0.0002 g/5.0mL) + Isoleucine (0.0006 mg/20mg) + Isoleucine (0.0001 g/5.0mL)KitTopicalExocobio Inc.2019-03-01Not applicableUS flag
ClinimixLeucine (6.20 g/2L) + Alanine (17.60 g/2L) + Arginine (9.78 g/2L) + Calcium chloride dihydrate (0.66 g/2L) + D-glucose monohydrate (300.00 g/2L) + Dipotassium phosphate (5.22 g/2L) + Glycine (8.76 g/2L) + Histidine (4.08 g/2L) + Isoleucine (5.10 g/2L) + Lysine (4.93 g/2L) + Magnesium chloride hexahydrate (1.02 g/2L) + Methionine (3.40 g/2L) + Phenylalanine (4.76 g/2L) + Proline (5.78 g/2L) + Serine (4.25 g/2L) + Sodium acetate trihydrate (5.94 g/2L) + Sodium chloride (1.54 g/2L) + Threonine (3.57 g/2L) + Tryptophan (1.53 g/2L) + Tyrosine (0.34 g/2L) + Valine (4.93 g/2L)SolutionIntravenousBaxter Healthcare Corporation2017-10-252019-11-30US flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Leucine and derivatives
Alternative Parents
L-alpha-amino acids / Methyl-branched fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Alpha-amino acid / Amine / Amino acid / Branched fatty acid / Carbonyl group / Carboxylic acid / Fatty acid / Fatty acyl / Hydrocarbon derivative
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
proteinogenic amino acid, L-alpha-amino acid, leucine, pyruvate family amino acid (CHEBI:15603) / Common amino acids (C00123)
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
GMW67QNF9C
CAS number
61-90-5
InChI Key
ROHFNLRQFUQHCH-YFKPBYRVSA-N
InChI
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
IUPAC Name
(2S)-2-amino-4-methylpentanoic acid
SMILES
CC(C)C[C@H](N)C(O)=O

References

Synthesis Reference

Takayasu Tsuchida, Haruo Momose, Yoshio Hirose, "Process for producing L-leucine." U.S. Patent US3970519, issued February, 1975.

US3970519
General References
Not Available
Human Metabolome Database
HMDB0000687
KEGG Drug
D00030
KEGG Compound
C00123
PubChem Compound
6106
PubChem Substance
46507163
ChemSpider
5880
BindingDB
50219348
RxNav
6308
ChEBI
57427
ChEMBL
CHEMBL291962
ZINC
ZINC000003645145
PharmGKB
PA450197
PDBe Ligand
LEU
PDRhealth
PDRhealth Drug Page
Wikipedia
Leucine
MSDS
Download (72.6 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Active Not RecruitingTreatmentCritically Ill Patients / Starvation1
4RecruitingBasic ScienceHealthy Subjects (HS) / Obesity / Type 2 Diabetes Mellitus1
4RecruitingPreventionIntestinal Obstruction / Ischemia, Mesenteric / Laparotomy1
4TerminatedSupportive CareCancer-related Malnutrition1
4TerminatedSupportive CareCritically Ill Patients1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
  • Gallipot
  • Vitaflo
Dosage Forms
FormRouteStrength
SolutionIntravenous10.50 g/1000ml
InjectionIntravenous0.5 g/l
InjectionIntravenous0.25 g/1000ml
Solution, concentrateIntravenous
InjectionIntravenous0.52 g/l
InjectionIntravenous11.000 g/1000ml
SolutionIntravenous18.5 g/L
InjectionIntravenous5.5 g/1000ml
KitTopical
LiquidIntravenous
TabletOral
Injection, solutionIntravenous
Injection, emulsionIntravenous
EmulsionIntravenous0.468 g
PowderTopical
LiquidTopical
InjectionIntravenous16 g/1000ml
CapsuleOral
EmulsionParenteral20.000 g
InjectionIntravenous1.6 g/l
SolutionParenteral
InjectionIntravenous0.37 g/l
Injection, solution, concentrateIntravenous
Injection, emulsionParenteral
EmulsionIntravenous0.466 g
Injection, emulsion; injection, solutionIntravenous
EmulsionParenteral
EmulsionIntravenous
Injection, solution
Injection, emulsionIntravenous4.656 g/1000ml
Injection, emulsionIntravenous6.792 g/1000ml
SolutionIntraperitoneal
Injection, solutionIntraperitoneal
LiquidHemodialysis
SolutionIntraperitoneal0.184 g/l
EmulsionIntravenous176 g/l
EmulsionIntravenous4 g
EmulsionIntravenous3 g
SolutionIntravenous
InjectionIntravenous4 g/l
InjectionIntravenous0.21 g/100ml
EmulsionIntravenous13.000 g
EmulsionParenteral42.00 g
Injection, emulsionIntravenous14 g/1000ml
InjectionIntravenous10.30 g/l
InjectionIntravenous
Granule
Prices
Unit descriptionCostUnit
Leucine powder1.62USD each
L-leucine powder0.28USD g
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)293 °CPhysProp
water solubility2.15E+004 mg/L (at 25 °C)YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP-1.52HANSCH,C ET AL. (1995)
pKa2.35 (at 13 °C)KORTUM,G ET AL (1961)
Predicted Properties
PropertyValueSource
Water Solubility69.8 mg/mLALOGPS
logP-1.8ALOGPS
logP-1.6Chemaxon
logS-0.27ALOGPS
pKa (Strongest Acidic)2.79Chemaxon
pKa (Strongest Basic)9.52Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area63.32 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity34.17 m3·mol-1Chemaxon
Polarizability14.16 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Download (8.19 KB)
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-0pb9-0900000000-c0176b3cef05fc597576
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-0a4i-0900000000-eb7cee37b9d78694010c
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-0a4i-0900000000-7033b5fdcd4216168462
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-0a4i-0900000000-cd1de48a6db61eb4455e
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-05fr-7900000000-e3b993b282ec2115b484
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9000000000-70cdb961a0819be4318a
GC-MS Spectrum - EI-BGC-MSsplash10-0019-9000000000-6e468213b3429cf627bc
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-0900000000-ef06e48ca82519977a37
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0pb9-0900000000-c0176b3cef05fc597576
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a4i-0900000000-eb7cee37b9d78694010c
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a4i-0900000000-7033b5fdcd4216168462
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a4i-0900000000-cd1de48a6db61eb4455e
GC-MS Spectrum - GC-EI-QQGC-MSsplash10-0udi-1391000000-5183562a14017e557e33
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-05fr-7900000000-e3b993b282ec2115b484
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-000i-9100000000-05b5a7a191a32803595e
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-0006-9000000000-5302e9c96e75e06e9705
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-0006-9000000000-9e70778b46864cd22996
MS/MS Spectrum - EI-B (HITACHI M-80) , PositiveLC-MS/MSsplash10-0019-9000000000-6e468213b3429cf627bc
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-001i-0900000000-4f403c61aaa8a103c049
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-000i-9000000000-d85fcc558423654f45fd
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-000i-9000000000-931937d3bdd49b3ae623
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-0002-0930000000-aa1256c9224fecacf025
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-001i-0900000000-0a72425a86f804d3a16b
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-000i-9000000000-4ed8cafebf4ee4e82e6a
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-000i-9000000000-3ac62b780abd90dd28b1
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-000i-9000000000-eb75eb03a58512ea36df
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, NegativeLC-MS/MSsplash10-001i-0900000000-c0f28e4ebdef67c5b509
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, NegativeLC-MS/MSsplash10-001i-0900000000-0751a9e803a2e7715d1a
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, NegativeLC-MS/MSsplash10-001i-5900000000-8040fc883917239630a7
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, NegativeLC-MS/MSsplash10-016s-9000000000-a7f9e8d43e66dbd02b6f
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, PositiveLC-MS/MSsplash10-001r-7900000000-da119558c426d9c9d3a1
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, PositiveLC-MS/MSsplash10-000i-9000000000-ae8365105ae2a18e0c10
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, PositiveLC-MS/MSsplash10-000f-9000000000-228ee614be6648b37433
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, PositiveLC-MS/MSsplash10-0006-9000000000-d1f3e047af455e156a1e
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, PositiveLC-MS/MSsplash10-0006-9000000000-409dfbdb20719c3afda5
MS/MS Spectrum - CE-ESI-TOF (CE-system connected to 6210 Time-of-Flight MS, Agilent) , PositiveLC-MS/MSsplash10-001i-0900000000-720554d58264a9cfdb67
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-001i-0900000000-90fab591d1f6d6318002
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , NegativeLC-MS/MSsplash10-001i-0900000000-ed843252a559d532dc5e
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-0900000000-c0f28e4ebdef67c5b509
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-0900000000-0751a9e803a2e7715d1a
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-5900000000-8040fc883917239630a7
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-016s-9000000000-a7f9e8d43e66dbd02b6f
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-001i-0900000000-ed843252a559d532dc5e
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-001r-7900000000-da119558c426d9c9d3a1
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-000i-9000000000-ae8365105ae2a18e0c10
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-000f-9000000000-228ee614be6648b37433
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-a4610cd110c812c4f490
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-409dfbdb20719c3afda5
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-000i-9000000000-d85fcc558423654f45fd
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-000i-9000000000-4ed8cafebf4ee4e82e6a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-9000000000-fec5e4f750925f07095c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-7018f8c9efcfd1d52fe5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-5b7d73ad382c1161f251
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-3900000000-33b7e9a4c51fcc97e322
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-52d65f4aa677860e8908
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-c583a756caa5b0e00396
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-129.4622458
predicted
DarkChem Lite v0.1.0
[M-H]-127.5762327
predicted
DarkChem Standard v0.1.0
[M-H]-129.3313458
predicted
DarkChem Lite v0.1.0
[M-H]-129.4275458
predicted
DarkChem Lite v0.1.0
[M-H]-126.15216
predicted
DeepCCS 1.0 (2019)
[M+H]+129.9972458
predicted
DarkChem Lite v0.1.0
[M+H]+131.464184
predicted
DarkChem Standard v0.1.0
[M+H]+130.0110458
predicted
DarkChem Lite v0.1.0
[M+H]+130.0693458
predicted
DarkChem Lite v0.1.0
[M+H]+129.7971
predicted
DeepCCS 1.0 (2019)
[M+Na]+129.4871458
predicted
DarkChem Lite v0.1.0
[M+Na]+129.4993458
predicted
DarkChem Lite v0.1.0
[M+Na]+129.5862458
predicted
DarkChem Lite v0.1.0
[M+Na]+138.67374
predicted
DeepCCS 1.0 (2019)

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Leucine-trna ligase activity
Specific Function
Not Available
Gene Name
LARS2
Uniprot ID
Q15031
Uniprot Name
Probable leucine--tRNA ligase, mitochondrial
Molecular Weight
101975.43 Da
References
  1. Ma JJ, Zhao MW, Wang ED: Split leucine-specific domain of leucyl-tRNA synthetase from the hyperthermophilic bacterium Aquifex aeolicus. Biochemistry. 2006 Dec 12;45(49):14809-16. [Article]
  2. Zhu B, Zhao MW, Eriani G, Wang ED: A present-day aminoacyl-tRNA synthetase with ancestral editing properties. RNA. 2007 Jan;13(1):15-21. Epub 2006 Nov 9. [Article]
  3. Vu MT, Martinis SA: A unique insert of leucyl-tRNA synthetase is required for aminoacylation and not amino acid editing. Biochemistry. 2007 May 1;46(17):5170-6. Epub 2007 Apr 4. [Article]
  4. Hsu JL, Rho SB, Vannella KM, Martinis SA: Functional divergence of a unique C-terminal domain of leucyl-tRNA synthetase to accommodate its splicing and aminoacylation roles. J Biol Chem. 2006 Aug 11;281(32):23075-82. Epub 2006 Jun 14. [Article]
  5. Lue SW, Kelley SO: A single residue in leucyl-tRNA synthetase affecting amino acid specificity and tRNA aminoacylation. Biochemistry. 2007 Apr 17;46(15):4466-72. Epub 2007 Mar 23. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Trna methyltransferase activity
Specific Function
Probable S-adenosyl-L-methionine-dependent methyltransferase that acts as a component of the wybutosine biosynthesis pathway. Wybutosine is a hyper modified guanosine with a tricyclic base found at...
Gene Name
LCMT2
Uniprot ID
O60294
Uniprot Name
tRNA wybutosine-synthesizing protein 4
Molecular Weight
75601.095 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
S-adenosylmethionine-dependent methyltransferase activity
Specific Function
Methylates the carboxyl group of the C-terminal leucine residue of protein phosphatase 2A catalytic subunits to form alpha-leucine ester residues.
Gene Name
LCMT1
Uniprot ID
Q9UIC8
Uniprot Name
Leucine carboxyl methyltransferase 1
Molecular Weight
38378.695 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Leucine-trna ligase activity
Specific Function
Catalyzes the specific attachment of an amino acid to its cognate tRNA in a two step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end ...
Gene Name
LARS
Uniprot ID
Q9P2J5
Uniprot Name
Leucine--tRNA ligase, cytoplasmic
Molecular Weight
134465.155 Da
References
  1. Ma JJ, Zhao MW, Wang ED: Split leucine-specific domain of leucyl-tRNA synthetase from the hyperthermophilic bacterium Aquifex aeolicus. Biochemistry. 2006 Dec 12;45(49):14809-16. [Article]
  2. Karkhanis VA, Boniecki MT, Poruri K, Martinis SA: A viable amino acid editing activity in the leucyl-tRNA synthetase CP1-splicing domain is not required in the yeast mitochondria. J Biol Chem. 2006 Nov 3;281(44):33217-25. Epub 2006 Sep 6. [Article]
  3. Vu MT, Martinis SA: A unique insert of leucyl-tRNA synthetase is required for aminoacylation and not amino acid editing. Biochemistry. 2007 May 1;46(17):5170-6. Epub 2007 Apr 4. [Article]
  4. Hsu JL, Rho SB, Vannella KM, Martinis SA: Functional divergence of a unique C-terminal domain of leucyl-tRNA synthetase to accommodate its splicing and aminoacylation roles. J Biol Chem. 2006 Aug 11;281(32):23075-82. Epub 2006 Jun 14. [Article]
  5. Dohm JC, Vingron M, Staub E: Horizontal gene transfer in aminoacyl-tRNA synthetases including leucine-specific subtypes. J Mol Evol. 2006 Oct;63(4):437-47. Epub 2006 Sep 4. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
L-valine transaminase activity
Specific Function
Catalyzes the first reaction in the catabolism of the essential branched chain amino acids leucine, isoleucine, and valine. May also function as a transporter of branched chain alpha-keto acids.
Gene Name
BCAT2
Uniprot ID
O15382
Uniprot Name
Branched-chain-amino-acid aminotransferase, mitochondrial
Molecular Weight
44287.445 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berger BJ, English S, Chan G, Knodel MH: Methionine regeneration and aminotransferases in Bacillus subtilis, Bacillus cereus, and Bacillus anthracis. J Bacteriol. 2003 Apr;185(8):2418-31. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
L-valine transaminase activity
Specific Function
Catalyzes the first reaction in the catabolism of the essential branched chain amino acids leucine, isoleucine, and valine.
Gene Name
BCAT1
Uniprot ID
P54687
Uniprot Name
Branched-chain-amino-acid aminotransferase, cytosolic
Molecular Weight
42965.815 Da
References
  1. Chen CD, Huang TF, Lin CH, Guan HH, Hsieh YC, Lin YH, Huang YC, Liu MY, Chang WC, Chen CJ: Purification, crystallization and preliminary X-ray crystallographic analysis of branched-chain aminotransferase from Deinococcus radiodurans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jun 1;63(Pt 6):492-4. Epub 2007 May 5. [Article]
  2. Saito M, Nishimura K, Wakabayashi S, Kurihara T, Nagata Y: Purification of branched-chain amino acid aminotransferase from Helicobacter pylori NCTC 11637. Amino Acids. 2007 Sep;33(3):445-9. Epub 2006 Nov 2. [Article]

Transporters

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Transporter activity
Specific Function
Sodium-independent transporter that mediates the update of aromatic acid. Can function as a net efflux pathway for aromatic amino acids in the basosolateral epithelial cells (By similarity).
Gene Name
SLC16A10
Uniprot ID
Q8TF71
Uniprot Name
Monocarboxylate transporter 10
Molecular Weight
55492.07 Da
References
  1. Kim DK, Kanai Y, Matsuo H, Kim JY, Chairoungdua A, Kobayashi Y, Enomoto A, Cha SH, Goya T, Endou H: The human T-type amino acid transporter-1: characterization, gene organization, and chromosomal location. Genomics. 2002 Jan;79(1):95-103. [Article]
  2. Kim DK, Kanai Y, Chairoungdua A, Matsuo H, Cha SH, Endou H: Expression cloning of a Na+-independent aromatic amino acid transporter with structural similarity to H+/monocarboxylate transporters. J Biol Chem. 2001 May 18;276(20):17221-8. Epub 2001 Feb 20. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
General Function
Transporter activity
Specific Function
Very active and specific thyroid hormone transporter. Stimulates cellular uptake of thyroxine (T4), triiodothyronine (T3), reverse triiodothyronine (rT3) and diidothyronine. Does not transport Leu,...
Gene Name
SLC16A2
Uniprot ID
P36021
Uniprot Name
Monocarboxylate transporter 8
Molecular Weight
59510.86 Da
References
  1. Friesema EC, Ganguly S, Abdalla A, Manning Fox JE, Halestrap AP, Visser TJ: Identification of monocarboxylate transporter 8 as a specific thyroid hormone transporter. J Biol Chem. 2003 Oct 10;278(41):40128-35. Epub 2003 Jul 18. [Article]

Drug created at June 13, 2005 13:24 / Updated at January 02, 2024 23:42