Showing metabocard for Norvaline (BMDB0063661)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-02-10 19:45:18 UTC
Update Date2020-05-11 22:39:33 UTC
BMDB IDBMDB0063661
Secondary Accession Numbers
  • BMDB63661
Metabolite Identification
Common NameNorvaline
DescriptionNorvaline, also known as (.+-.)-norvaline or D-ape, belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. Norvaline exists in all eukaryotes, ranging from yeast to plants to humans. Based on a literature review very few articles have been published on Norvaline.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(R)-NorvalineChEBI
D-2-Aminovaleric acidChEBI
D-ApeChEBI
D-NorvalineChEBI
D-NvaChEBI
D-2-Aminopentanoic acidKegg
D-2-AminovalerateGenerator
D-2-AminopentanoateGenerator
(.+-.)-norvalineHMDB
(.+/-.)-norvalineHMDB
2-Amino-DL-valeric acidHMDB
2-Aminopentanoic acidsHMDB
2-Aminovaleric acidHMDB
2-Aminovaleric acidsHMDB
alpha -DL-Aminopentanoic acidHMDB
alpha-Aminopentanoic acidHMDB
alpha-Aminovaleric acidHMDB
alpha-DL-Aminopentanoic acidHMDB
DL-2-Aminopentanoic acidHMDB
DL-alpha -Aminovaleric acidHMDB
DL-alpha-Amino-N-valenic acidHMDB
DL-alpha-Aminovaleric acidHMDB
DL-NorvalineHMDB
Norvaline (acd/name 4.0)HMDB
NorvalinesHMDB
Chemical FormulaC5H11NO2
Average Molecular Weight117.1463
Monoisotopic Molecular Weight117.078978601
IUPAC Name(2R)-2-aminopentanoic acid
Traditional NameD-(-)-norvaline
CAS Registry NumberNot Available
SMILES
CCC[C@@H](N)C(O)=O
InChI Identifier
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChI KeySNDPXSYFESPGGJ-SCSAIBSYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentD-alpha-amino acids
Alternative Parents
Substituents
  • D-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
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
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 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity29.62 m³·mol⁻¹ChemAxon
Polarizability12.51 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Liver
  • Mammary Gland
  • Ruminal Fluid
  • Semen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
SemenDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0013716
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00018307
Chemspider ID388660
KEGG Compound IDC01799
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNorvaline
METLIN IDNot Available
PubChem Compound439575
PDB IDNot Available
ChEBI ID28804
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available