Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:35 UTC |
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Update date | 2020-02-24 19:10:07 UTC |
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Primary ID | FDB000468 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | L-3-Aminodihydro-2(3H)-furanone |
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Description | L-3-Aminodihydro-2(3H)-furanone, also known as Hsl or 2-aminobutan-4-olide, belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. L-3-Aminodihydro-2(3H)-furanone has been detected, but not quantified in, common peas (Pisum sativum) and pulses. This could make L-3-aminodihydro-2(3H)-furanone a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on L-3-Aminodihydro-2(3H)-furanone. |
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CAS Number | 1192-20-7 |
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Structure | |
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Synonyms | Synonym | Source |
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Not Available | Not Available |
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Predicted Properties | |
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Chemical Formula | C4H7NO2 |
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IUPAC name | 3-aminooxolan-2-one |
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InChI Identifier | InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2 |
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InChI Key | QJPWUUJVYOJNMH-UHFFFAOYSA-N |
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Isomeric SMILES | NC1CCOC1=O |
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Average Molecular Weight | 101.1039 |
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Monoisotopic Molecular Weight | 101.047678473 |
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Classification |
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Description | Belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Alpha amino acid esters |
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Alternative Parents | |
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Substituents | - Alpha-amino acid ester
- Gamma butyrolactone
- Tetrahydrofuran
- Carboxylic acid ester
- Lactone
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 47.52%; H 6.98%; N 13.85%; O 31.65% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | L-3-Aminodihydro-2(3H)-furanone, non-derivatized, GC-MS Spectrum | splash10-0uk9-0950000000-03048a23c7fb90226a53 | Spectrum | GC-MS | L-3-Aminodihydro-2(3H)-furanone, non-derivatized, GC-MS Spectrum | splash10-0uk9-0950000000-03048a23c7fb90226a53 | Spectrum | Predicted GC-MS | L-3-Aminodihydro-2(3H)-furanone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-9000000000-b9d5d3a95eb0f3d817b0 | Spectrum | Predicted GC-MS | L-3-Aminodihydro-2(3H)-furanone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | L-3-Aminodihydro-2(3H)-furanone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | L-3-Aminodihydro-2(3H)-furanone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-5900000000-bebe5f86885084916992 | 2016-06-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0zfr-9200000000-ea641bb623272ddad942 | 2016-06-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-4265b936b19415f968fa | 2016-06-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-1900000000-4f2b97073c445663557a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zfr-9300000000-691a47924bf6a5d4fcc4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0zml-9000000000-cb080a7af4bdb51b5c2b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0zmi-9500000000-73ccafe0825e00830713 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9100000000-e2e4ad1a4aaa53d5e6ef | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4u-9000000000-0535253a493b487421bc | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-5900000000-dcbd9472bd7826d8ab9b | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0piu-9200000000-c15fdf2019bc2c67746b | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-6f1e0fd9ac45551fad9d | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 66194 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C02926 |
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Pubchem Compound ID | 73509 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB29387 |
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CRC / DFC (Dictionary of Food Compounds) ID | BCR48-X:BCR49-Y |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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