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L-Hypoglycin A

By Reverse transcriptase July 21, 2017

Common Name

L-Hypoglycin A Description

L-Hypoglycin A is found in fruits. L-Hypoglycin A is isolated from the unripe fruit of akee apple (Blighia sapida) L-Hypoglycin A belongs to the family of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon)[1]. (Reference: [1] Amino Acid: http://en.wikipedia.org/wiki/Amino_acid). Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB29427 (L-Hypoglycin A)

Synonyms

Value Source 2-amino-4,5-Methylenehex-5-enoic acidHMDB 2-MethylenecyclopropanealanineHMDB 2-MethylenecyclopropanylalanineHMDB 2-MethyleneL-cyclopropanealanineHMDB alpha-amino-2-Methylenecyclopropanepropanoic acidHMDB alpha-amino-2-Methylenecyclopropanepropionic acidHMDB alpha-amino-beta-(2-Methylenecyclopropyl)propionic acidHMDB alpha-Aminomethylenecyclopropanepropionic acidHMDB beta-(Methylenecyclopropyl)alanineHMDB Hypoglycin aHMDB Hypoglycine aHMDB L-alpha-amino-beta-Methylenecyclopropanepropionic acidHMDB L-HypoglycinHMDB Hypoglycin, (S)-isomerMeSH HypoglycinMeSH Hypoglycin, carboxy-(14)C-labeledMeSH

Chemical Formlia

C₇H₁₁NO₂ Average Molecliar Weight

141.1677 Monoisotopic Molecliar Weight

141.078978601 IUPAC Name

2-amino-3-(2-methylidenecyclopropyl)propanoic acid Traditional Name

hypoglycine A CAS Registry Number

156-56-9 SMILES

NC(CC1CC1=C)C(O)=O

InChI Identifier

InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)

InChI Key

OOJZCXFXPZGUBJ-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Alpha amino acids Alternative Parents

Carbocyclic fatty acids

Amino acids

Monocarboxylic acids and derivatives

Carboxylic acids

Organopnictogen compounds

Organic oxides

Monoalkylamines

Hydrocarbon derivatives

Carbonyl compounds

Substituents

Alpha-amino acid

Carbocyclic fatty acid

Fatty acyl

Amino acid

Carboxylic acid

Monocarboxylic acid or derivatives

Organic nitrogen compound

Hydrocarbon derivative

Primary amine

Organooxygen compound

Organonitrogen compound

Organic oxide

Primary aliphatic amine

Organopnictogen compound

Carbonyl group

Organic oxygen compound

Amine

Aliphatic homomonocyclic compound

Molecliar Framework

Aliphatic homomonocyclic compounds External Descriptors

Not Available Ontology Status

Expected but not Quantified Origin

Endogenous

Food

Biofunction

Not Available Application

Nutrient

Cellliar locations

Cytoplasm

Extracellliar

Physical Properties State

Not Available Experimental Properties

Property Value Reference Melting Point280 – 284 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

Predicted Properties

Property Value Source Water Solubility101.0 mg/mLALOGPS logP-2.2ALOGPS logP-2.1ChemAxon logS-0.15ALOGPS pKa (Strongest Acidic)2.52ChemAxon pKa (Strongest Basic)9.51ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count3ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area63.32 Å²ChemAxon Rotatable Bond Count3ChemAxon Refractivity36.69 m³·mol^-1ChemAxon Polarizability14.82 Å³ChemAxon Number of Rings1ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

Spectra Spectra

Spectrum Type Description Splash Key Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-0005-9800000000-a5171a1c4df83880eaf3View in MoNA Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-0002-9100000000-e69156f7fafd560dd124View in MoNA Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0gb9-9000000000-d466aa46e7a29ca5ad5cView in MoNA Predicted LC-MS/MS