| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:27:19 UTC |
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| Update date | 2017-01-19 02:36:10 UTC |
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| FoodComEx ID | PC000014 |
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| FoodDB Record | FDB022732 |
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| Chemical Information |
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| Name | 2-Aminoisobutyric acid |
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| Description | Aminoisobutyric acid is a nonprotein amino acid (is an end product of pyrimidine metabolism) excreted in the urine of about 5% of healthy individuals (PMID 14806475), and high excretion is an autosomal recessive phenotype (PMID 13058271) [HMDB] |
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| CAS Number | 62-57-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Amino-2-methylpropanoate | hmdb | | 2-Amino-2-methylpropanoic acid | hmdb | | 2-amino-2-Methylpropionate | Generator | | 2-amino-2-Methylpropionic acid | ChEBI | | 2-Aminoisobutyrate | hmdb | | 2-Aminoisobutyric acid | hmdb | | 2-Methylalanine | hmdb | | 2,2-Dimethylglycine | ChEBI | | 2MA | ChEBI | | a-Aminoisobutanoate | hmdb | | a-Aminoisobutanoic acid | hmdb | | a-Aminoisobutyrate | hmdb | | a-Aminoisobutyric acid | hmdb | | a-Methylalanine | hmdb | | a,a-Dimethylglycine | Generator | | AIB | hmdb | | alpha-Aminoisobutanoate | hmdb | | alpha-Aminoisobutanoic acid | hmdb | | alpha-Aminoisobutyrate | hmdb | | alpha-Aminoisobutyric acid | hmdb | | alpha-Methylalanine | hmdb | | alpha,alpha-Dimethylglycine | ChEBI | | α-aminoisobutanoate | Generator | | α-aminoisobutanoic acid | Generator | | α-aminoisobutyrate | Generator | | α-aminoisobutyric acid | Generator | | α-methylalanine | Generator | | α,α-dimethylglycine | Generator |
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| Chemical Formula | C4H9NO2 |
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| IUPAC name | 2-amino-2-methylpropanoic acid |
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| InChI Identifier | InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) |
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| InChI Key | FUOOLUPWFVMBKG-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C)(N)C(O)=O |
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| Average Molecular Weight | 103.1198 |
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| Monoisotopic Molecular Weight | 103.063328537 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds 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). |
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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 acids |
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| Alternative Parents | |
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| Substituents | - Alpha-amino acid
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | J93885 |
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| AKSci | Q794 |
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| Glentham | GM4865 |
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| MetaSci | HMDB0001906 |
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| Sigma-Aldrich | HMDB0001906 |
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| Toronto Research Chemicals | M276570 |
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