Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:41 UTC |
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Update date | 2019-11-26 02:55:18 UTC |
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Primary ID | FDB000741 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 2-Pyrrolidinone |
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Description | Present in red ginseng
2-Pyrrolidone (2-Pyrrolidinone,2-Pyrol) is an organic compound consisting of a five-membered lactam. It is a colorless liquid which is used in industrial settings as a high-boiling non-corrosive polar solvent for a wide variety of applications. It is miscible with a wide variety of other solvents including water, ethanol, diethyl ether, chloroform, benzene, ethyl acetate and carbon disulfide.; 2-Pyrrolidone is an intermediate in the manufacture of polymers such as polyvinylpyrrolidone and polypyrrolidone.; Pyrrolidinone is a lactam cyclization product of gamma-aminobutyric acid (GABA). (PMID 10332870); Vigabatrin (VGB, an antiepileptic drug) increases human brain gamma-aminobutyric acid (GABA) and the related metabolites, including 2-pyrrolidinone. Patients taking VGB are expected to have an increase of these metabolites. (PMID 10403220, 10840398); 2-Pyrrolidone is an organic compound consisting of a five-membered lactam. It is a colorless liquid which is used in industrial settings as a high-boiling non-corrosive polar solvent for a wide variety of applications. It is miscible with a wide variety of other solvents including water, ethanol, diethyl ether, chloroform, benzene, ethyl acetate and carbon disulfide. -- Wikipedia. 2-Pyrrolidinone is found in beverages. |
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CAS Number | 616-45-5 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C8H14N2O2 |
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IUPAC name | 4,5-dihydro-1H-pyrrol-2-ol; pyrrolidin-2-one |
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InChI Identifier | InChI=1S/2C4H7NO/c2*6-4-2-1-3-5-4/h1-3H2,(H,5,6);2,5-6H,1,3H2 |
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InChI Key | DSCOHTVBTNDPQA-UHFFFAOYSA-N |
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Isomeric SMILES | OC1=CCCN1.O=C1CCCN1 |
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Average Molecular Weight | 170.209 |
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Monoisotopic Molecular Weight | 170.105527702 |
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Classification |
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Description | Belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyrrolidines |
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Sub Class | Pyrrolidones |
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Direct Parent | Pyrrolidine-2-ones |
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Alternative Parents | |
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Substituents | - 2-pyrrolidone
- Pyrroline
- Secondary carboxylic acid amide
- Lactam
- Ketene acetal or derivatives
- Carboxamide group
- Azacycle
- Secondary amine
- Secondary aliphatic amine
- Carboxylic acid derivative
- Alkanolamine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Amine
- Aliphatic heteromonocyclic compound
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Molecular Framework | Not Available |
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External Descriptors | Not Available |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | Not Available |
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External Links |
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ChemSpider ID | 11530 |
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ChEMBL ID | CHEMBL276849 |
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KEGG Compound ID | C11118 |
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Pubchem Compound ID | 12025 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 7307 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB02039 |
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CRC / DFC (Dictionary of Food Compounds) ID | BGS32-V:BGS32-V |
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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 | 2-Pyrrolidone |
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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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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 | show |
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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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