Record Information |
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Version | 1.0 |
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Creation date | 2020-04-06 12:03:18 UTC |
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Update date | 2020-04-06 23:43:22 UTC |
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Primary ID | FDB112001 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Methionyl-Phenylalanine |
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Description | Methionyl-Phenylalanine, also known as m-F dipeptide or met-phe, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Methionyl-Phenylalanine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make methionyl-phenylalanine a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Methionyl-Phenylalanine. |
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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 | C14H20N2O3S |
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IUPAC name | 2-[2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid |
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InChI Identifier | InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19) |
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InChI Key | HGCNKOLVKRAVHD-UHFFFAOYSA-N |
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Isomeric SMILES | CSCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O |
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Average Molecular Weight | 296.385 |
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Monoisotopic Molecular Weight | 296.119463206 |
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Classification |
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Description | Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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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 | Dipeptides |
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Alternative Parents | |
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Substituents | - Alpha-dipeptide
- Phenylalanine or derivatives
- Methionine or derivatives
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Alpha-amino acid amide
- 3-phenylpropanoic-acid
- Alpha-amino acid or derivatives
- Amphetamine or derivatives
- Fatty acyl
- Benzenoid
- Fatty amide
- N-acyl-amine
- Monocyclic benzene moiety
- Carboxamide group
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Amino acid
- Dialkylthioether
- Carboxylic acid
- Sulfenyl compound
- Monocarboxylic acid or derivatives
- Thioether
- Organopnictogen compound
- Primary aliphatic amine
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organosulfur compound
- Organonitrogen compound
- Organooxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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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 | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Methionyl-Phenylalanine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0f7o-9520000000-8d0a1943d26199d83c8d | Spectrum | Predicted GC-MS | Methionyl-Phenylalanine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0udl-9431000000-da5b08fe578ca07e8d77 | Spectrum | Predicted GC-MS | Methionyl-Phenylalanine, 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 | splash10-0f7k-2590000000-f694b084e25e97ae5dcd | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udr-5920000000-bfb8c270ed4885e627e0 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9100000000-199214e6cb0e8ef6938c | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-5090000000-c59066dc3b2903b4f337 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9220000000-af1b6e4c7748eb21afcd | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9200000000-470b584a4bd078dda146 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0090000000-7b3409564f752fcdc82e | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-4900000000-eba3b92aab351a65bb12 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0005-9500000000-1ef716b2b02c4c8bd548 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0290000000-5bdbafd562c2d53f62b0 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00dj-4920000000-a85af0bb77da81273d6e | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0r6u-9500000000-575f777c2279d70ad4a1 | 2021-09-23 | 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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