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Showing Compound L-Lysine hydrochloride (FDB000475)

Record Information
Version1.0
Creation date2010-04-08 22:04:35 UTC
Update date2015-07-20 21:31:40 UTC
Primary IDFDB000475
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameL-Lysine hydrochloride
DescriptionL-lysine hydrochloride 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. Based on a literature review very few articles have been published on L-lysine hydrochloride.
CAS Number10098-89-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(S)-2,6-Diaminohexanoic acid monohydrochlorideChEBI
L-alpha,Epsilondiaminocaproic acid monohydrochlorideChEBI
L-Lysine monohydrochlorideKegg
(S)-2,6-Diaminohexanoate monohydrochlorideGenerator
L-a,Epsilondiaminocaproate monohydrochlorideGenerator
L-a,Epsilondiaminocaproic acid monohydrochlorideGenerator
L-alpha,Epsilondiaminocaproate monohydrochlorideGenerator
L-Α,epsilondiaminocaproate monohydrochlorideGenerator
L-Α,epsilondiaminocaproic acid monohydrochlorideGenerator
EnisylMeSH
Acetate, lysineMeSH
L-LysineMeSH
Lysine hydrochlorideMeSH
L LysineMeSH
LysineMeSH
Lysine acetateMeSH
L-Lysine hydrochloridebiospider
Lysine hydrochloride, USANdb_source
Lysine monohydrochloridebiospider
Predicted Properties
PropertyValueSource
logP-3.2ChemAxon
pKa (Strongest Acidic)2.74ChemAxon
pKa (Strongest Basic)10.29ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area89.34 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.81 m³·mol⁻¹ChemAxon
Polarizability15.87 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC6H15ClN2O2
IUPAC name(2S)-2,6-diaminohexanoic acid hydrochloride
InChI IdentifierInChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
InChI KeyBVHLGVCQOALMSV-JEDNCBNOSA-N
Isomeric SMILESCl.NCCCC[C@H](N)C(O)=O
Average Molecular Weight182.649
Monoisotopic Molecular Weight182.082205441
Classification
Description 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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Hydrochloride
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointMp 235-236°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-44c70d1854e93930481d2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-44c70d1854e93930481d2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0900000000-44c70d1854e93930481d2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-c06dacaa43a44fce7e252016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-c06dacaa43a44fce7e252016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0900000000-c06dacaa43a44fce7e252016-08-03View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID69568
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDBCS45-Z:BCS48-C
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDLysine_hydrochloride
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference