| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:40:49 UTC |
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| Update Date | 2020-05-11 20:22:05 UTC |
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| BMDB ID | BMDB0001080 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 4-Aminobutyraldehyde |
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| Description | 4-Aminobutyraldehyde, also known as 4-amino-butanal, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. 4-Aminobutyraldehyde is a very strong basic compound (based on its pKa). 4-Aminobutyraldehyde exists in all living species, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 4-Amino-butyraldehyde | ChEBI | | 4-Amino-butanal | HMDB | | 4-Aminobutanal | HMDB | | 4-Ammoniobutanal | HMDB | | gamma-Aminobutyraldehyde | HMDB | | 4-Aminobutyraldehyde | ChEBI |
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| Chemical Formula | C4H9NO |
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| Average Molecular Weight | 87.1204 |
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| Monoisotopic Molecular Weight | 87.068413915 |
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| IUPAC Name | 4-aminobutanal |
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| Traditional Name | ω-aminoaldehyde |
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| CAS Registry Number | 4390-05-0 |
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| SMILES | NCCCC=O |
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| InChI Identifier | InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2 |
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| InChI Key | DZQLQEYLEYWJIB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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| Direct Parent | Alpha-hydrogen aldehydes |
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| Alternative Parents | |
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| Substituents | - Alpha-hydrogen aldehyde
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organonitrogen compound
- Primary aliphatic amine
- Amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| Biological Properties |
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| Cellular Locations | |
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| Biospecimen Locations | |
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| Pathways | |
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| Normal Concentrations |
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| Liver | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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| Abnormal Concentrations |
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| Not Available |
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| External Links |
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| HMDB ID | HMDB0001080 |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FooDB ID | FDB022412 |
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| KNApSAcK ID | C00019656 |
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| Chemspider ID | 115 |
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| KEGG Compound ID | C02903 |
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| BioCyc ID | 4-AMINO-BUTYRALDEHYDE |
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| BiGG ID | 35337 |
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| Wikipedia Link | Not Available |
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| METLIN ID | 3225 |
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| PubChem Compound | 118 |
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| PDB ID | Not Available |
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| ChEBI ID | 17769 |
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| References |
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| Synthesis Reference | Asakura, Tadashi; Takada, Koji; Ikeda, Yoshitaka; Matsuda, Makoto. Preparation of 4-aminobutyraldehyde and its properties on ion exchange chromatography. Jikeikai Medical Journal (1988), 35(1), 23-31. |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| General References | - Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. [PubMed:29565828 ]
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