| Common Name |
L-3-Aminodihydro-2(3H)-furanone
| Description |
L-3-Aminodihydro-2(3H)-furanone is found in plises. L-3-Aminodihydro-2(3H)-furanone is a constituent of pea Pisum sativum seedlings.L-3-Aminodihydro-2(3H)-furanone belongs to the family of Lactones. These are cyclicA esters of hydroxyA carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring [1].
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29387 (L-3-Aminodihydro-2(3H)-furanone)
| Synonyms |
| Value |
Source |
2-Aminobutan-4-olideChEBI
alpha-amino-gamma-ButyrolactoneChEBI
HslChEBI
HSLSChEBI
a-amino-g-ButyrolactoneGenerator
α-amino-γ-butyrolactoneGenerator
| Chemical Formlia |
C4H7NO2
| Average Molecliar Weight |
101.1039
| Monoisotopic Molecliar Weight |
101.047678473
| IUPAC Name |
3-aminooxolan-2-one
| Traditional Name |
HSLs
| CAS Registry Number |
Not Available
| SMILES |
NC1CCOC1=O
| InChI Identifier |
InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
| InChI Key |
QJPWUUJVYOJNMH-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
| Kingdom |
Organic compounds
| Super Class |
Organic acids and derivatives
| Class |
Carboxylic acids and derivatives
| Sub Class |
Amino acids, peptides, and analogues
| Direct Parent |
Alpha amino acid esters
| Alternative Parents |
Gamma butyrolactones
Oxolanes
Carboxylic acid esters
Oxacyclic compounds
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha-amino acid ester
Gamma butyrolactone
Oxolane
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic 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 PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility695.0 mg/mLALOGPS
logP-1.4ALOGPS
logP-0.9ChemAxon
logS0.84ALOGPS
pKa (Strongest Basic)7.33ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area52.32 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity23.41 m3·mol-1ChemAxon
Polarizability9.47 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, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000468
| KNApSAcK ID |
Not Available
| Chemspider ID |
66194
| KEGG Compound ID |
C02926
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29387
| Metagene Link |
HMDB29387
| METLIN ID |
Not Available
| PubChem Compound |
73509
| PDB ID |
Not Available
| ChEBI ID |
17289
Product: SRI-011381 (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 24566060
