| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:31 UTC |
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| Update date | 2017-01-19 02:36:30 UTC |
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| FoodComEx ID | PC000612 |
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| FoodDB Record | FDB022789 |
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| Chemical Information |
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| Name | Methionine sulfoxide |
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| Description | Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species via 2-electron-dependent mechanism. Such oxidants can be generated from activated neutrophils; therefore, methionine sulfoxide can be regarded as a biomarker of oxidative stress in vivo. (PMID 12576054) [HMDB]. Methionine sulfoxide is found in many foods, some of which are romaine lettuce, white cabbage, dill, and yellow bell pepper. |
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| CAS Number | 62697-73-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-amino-4-(methylsulfinyl)-Butanoate | hmdb | | 2-amino-4-(methylsulfinyl)-Butanoic acid | hmdb | | alpha-amino-gamma-(methylsulfinyl)-Butyric acid | hmdb | | DL-Methionine sulfoxide | hmdb | | L-methionine (S)-S-oxide | hmdb | | L-methionine R-oxide | hmdb | | L-Methionine sulfoxide | hmdb | | Met-so | HMDB | | Methionine sulphoxide | Generator | | S-oxide-methionine | hmdb |
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| Chemical Formula | C5H11NO3S |
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| IUPAC name | 2-amino-4-methanesulfinylbutanoic acid |
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| InChI Identifier | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) |
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| InChI Key | QEFRNWWLZKMPFJ-UHFFFAOYSA-N |
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| Isomeric SMILES | CS(=O)CCC(N)C(O)=O |
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| Average Molecular Weight | 165.211 |
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| Monoisotopic Molecular Weight | 165.045963913 |
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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
- Thia fatty acid
- Fatty acyl
- Fatty acid
- Sulfoxide
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Sulfinyl compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organosulfur compound
- 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 | X0046 |
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