Norvaline

Identification

Name
Norvaline
Accession Number
DB04185  (EXPT00144, EXPT02397, DB03519)
Type
Small Molecule
Groups
Experimental
Description

Norvaline, an amino acid, is an isomer of the more common amino acid valine. Like most other α-amino acids, norvaline is chiral. It is a white, water-soluble solid.

Structure
Thumb
Synonyms
  • (S)-2-Aminopentanoic acid
  • 2-Aminopentanoic acid
  • 2-Aminovaleric acid
  • L-2-aminopentanoic acid
  • L-2-Aminovaleric acid
  • L-Norvaline
External IDs
NSC-203786
Categories
UNII
A70UKS48FE
CAS number
6600-40-4
Weight
Average: 117.1463
Monoisotopic: 117.078978601
Chemical Formula
C5H11NO2
InChI Key
SNDPXSYFESPGGJ-BYPYZUCNSA-N
InChI
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
IUPAC Name
(2S)-2-aminopentanoic acid
SMILES
CCC[C@H](N)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UOrnithine carbamoyltransferase, mitochondrialNot AvailableHuman
UGlycine amidinotransferase, mitochondrialNot AvailableHuman
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

Synthesis Reference

Naoyuki Harada, Masataka Hikota, "Norvaline Derivative and Method for Preparation Thereof." U.S. Patent US20080076769, issued March 27, 2008.

US20080076769
General References
Not Available
External Links
KEGG Compound
C01826
PubChem Compound
65098
PubChem Substance
46507762
ChemSpider
58608
BindingDB
50357215
ChEBI
18314
ChEMBL
CHEMBL55612
HET
NVA
Wikipedia
Norvaline
PDB Entries
1b6h / 1c9y / 1fb5 / 1jdx / 1obc / 1obh / 1z3m / 1z3p / 1znm / 2bte
show 9 more

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility212.0 mg/mLALOGPS
logP-2ALOGPS
logP-1.9ChemAxon
logS0.26ALOGPS
pKa (Strongest Acidic)2.71ChemAxon
pKa (Strongest Basic)9.53ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity29.62 m3·mol-1ChemAxon
Polarizability12.51 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)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-0006-0910000000-beefdf719a6886968b7c
GC-MS Spectrum - GC-MS (3 TMS)GC-MSsplash10-014i-0790000000-e7b2312067ea2f580f89
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0006-0900000000-a6657581da86b5e16b49
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00dl-8900000000-d938851c18aaa72fa65d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-014i-0900000000-aa4cfcf519f06eec7d88
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-014i-0900000000-4e82e4f432ac9f12cbcb
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-014i-6900000000-4f8a15a515f7662399b9
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-014i-0900000000-0f41e9f1f44727ed0171
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00xr-8900000000-a018bb35506cefdb80bd
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00di-9000000000-d40d2fdb101f11e267b5
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00di-9000000000-376f2fb607142668c579
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-05fu-9000000000-a8afb39a0414ea34be89
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-a96a85910f51c12a4199
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-9000000000-8e18b75f54c0cafa716a

Taxonomy

Description
This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
L-alpha-amino acids
Alternative Parents
Methyl-branched fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
Substituents
L-alpha-amino acid / Branched fatty acid / Methyl-branched fatty acid / Fatty acid / Fatty acyl / Amino acid / Monocarboxylic acid or derivatives / Carboxylic acid / Organic oxide / Organopnictogen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
2-aminopentanoic acid, (R)-fenbuconazole (CHEBI:18314) / Amino fatty acids (C01826) / Amino fatty acids (LMFA01100041)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Phospholipid binding
Specific Function
Not Available
Gene Name
OTC
Uniprot ID
P00480
Uniprot Name
Ornithine carbamoyltransferase, mitochondrial
Molecular Weight
39934.775 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. [PubMed:17139284]
  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. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Glycine amidinotransferase activity
Specific Function
Catalyzes the biosynthesis of guanidinoacetate, the immediate precursor of creatine. Creatine plays a vital role in energy metabolism in muscle tissues. May play a role in embryonic and central ner...
Gene Name
GATM
Uniprot ID
P50440
Uniprot Name
Glycine amidinotransferase, mitochondrial
Molecular Weight
48455.01 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. [PubMed:17139284]
  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. [PubMed:17016423]

Drug created on June 13, 2005 07:24 / Updated on November 02, 2018 05:52