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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 01:19:19 UTC
Update Date2021-09-24 01:19:19 UTC
HMDB IDHMDB0303361
Secondary Accession NumbersNone
Metabolite Identification
Common NameArginine hydrochloride
DescriptionL-Arginine hydrochloride, also known as arginine or R-gene, 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. L-Arginine hydrochloride is a drug. Based on a literature review a significant number of articles have been published on L-Arginine hydrochloride.
Structure
Thumb
Synonyms
ValueSource
R-GeneKegg
ArginineMeSH
Arginine hydrochlorideMeSH
Arginine, L isomerMeSH
Arginine, L-isomerMeSH
DL Arginine acetate, monohydrateMeSH
DL-Arginine acetate, monohydrateMeSH
Hydrochloride, arginineMeSH
L ArginineMeSH
L-ArginineMeSH
L-Isomer arginineMeSH
Monohydrate DL-arginine acetateMeSH
R-Gene 10KEGG
L-Arginine hydrochlorideKEGG
Chemical FormulaC6H15ClN4O2
Average Molecular Weight210.662
Monoisotopic Molecular Weight210.088353451
IUPAC Name(2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride
Traditional NameL-arginine hydrochloride
CAS Registry NumberNot Available
SMILES
Cl.N[C@@H](CCCNC(N)=N)C(O)=O
InChI Identifier
InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
InChI KeyKWTQSFXGGICVPE-WCCKRBBISA-N
Chemical Taxonomy
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
  • Fatty acid
  • Guanidine
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Carboximidamide
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Amine
  • Hydrochloride
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-3.2ChemAxon
pKa (Strongest Acidic)2.41ChemAxon
pKa (Strongest Basic)12.41ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area125.22 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity53.92 m³·mol⁻¹ChemAxon
Polarizability17.95 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine hydrochloride 10V, Positive-QTOFsplash10-03di-0090000000-ba136292022554d195592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine hydrochloride 20V, Positive-QTOFsplash10-03di-0090000000-ba136292022554d195592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine hydrochloride 40V, Positive-QTOFsplash10-03di-0090000000-ba136292022554d195592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine hydrochloride 10V, Negative-QTOFsplash10-0a4i-0090000000-eeb49a5efca667bd03172016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine hydrochloride 20V, Negative-QTOFsplash10-0a4i-0090000000-eeb49a5efca667bd03172016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine hydrochloride 40V, Negative-QTOFsplash10-0a4i-0090000000-eeb49a5efca667bd03172016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDBSALT000869
Phenol Explorer Compound IDNot Available
FooDB IDFDB011914
KNApSAcK IDNot Available
Chemspider ID59634
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound66250
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available