Record Information |
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Version | 1.0 |
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Creation date | 2020-04-20 17:32:07 UTC |
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Update date | 2020-04-21 18:02:28 UTC |
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Primary ID | FDB112182 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Se-Methylselenocysteine |
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Description | Se-Methylselenocysteine, also known as selenohomocysteine or selenium methyl cysteine, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Se-Methylselenocysteine is a very strong basic compound (based on its pKa). Se-Methylselenocysteine exists in all living species, ranging from bacteria to humans. |
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CAS Number | Not Available |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C4H9NO2Se |
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IUPAC name | (2R)-2-amino-3-(methylselanyl)propanoic acid |
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InChI Identifier | InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 |
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InChI Key | XDSSPSLGNGIIHP-VKHMYHEASA-N |
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Isomeric SMILES | C[Se]C[C@H](N)C(O)=O |
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Average Molecular Weight | 182.08 |
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Monoisotopic Molecular Weight | 182.979850365 |
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Classification |
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Description | Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
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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 | L-alpha-amino acids |
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Alternative Parents | |
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Substituents | - L-alpha-amino acid
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Selenoether
- Amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Primary amine
- Organoselenium compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Carbonyl group
- 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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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 | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | Se-Methylselenocysteine, 1 TMS, GC-MS Spectrum | splash10-000i-2900000000-584579d62a5c494d1ad4 | Spectrum | GC-MS | Se-Methylselenocysteine, 2 TMS, GC-MS Spectrum | splash10-0i00-1960000000-c1d9d3d6c03ef447c682 | Spectrum | GC-MS | Se-Methylselenocysteine, non-derivatized, GC-MS Spectrum | splash10-000i-2900000000-584579d62a5c494d1ad4 | Spectrum | GC-MS | Se-Methylselenocysteine, non-derivatized, GC-MS Spectrum | splash10-0i00-1960000000-c1d9d3d6c03ef447c682 | Spectrum | Predicted GC-MS | Se-Methylselenocysteine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-9400000000-b52de18849d5860694de | Spectrum | Predicted GC-MS | Se-Methylselenocysteine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dl-9110000000-370afb49a49bc4836d3e | Spectrum | Predicted GC-MS | Se-Methylselenocysteine, 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 | splash10-001r-0900000000-87ae6338ccd9513f5db0 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001r-1900000000-204e0c71178a372a67d0 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9800000000-f08ef5fe840b11c1330b | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00lu-5900000000-267cb39ae0470e212ce2 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0079-9400000000-7ae0b50471ba90d5656c | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9300000000-7580c3589d69535a4bb7 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-9000000000-f9689d19a8a4fb34dc2c | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9000000000-f9689d19a8a4fb34dc2c | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-f9689d19a8a4fb34dc2c | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00lr-0900000000-d519041b7fbf3920f7ee | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00y0-0900000000-88e1671d699eb2ba3233 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dl-5900000000-c1dd9e6e9d3616306ddc | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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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 | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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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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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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