Record Information |
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Version | 1.0 |
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Creation date | 2020-04-06 12:13:09 UTC |
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Update date | 2020-04-06 23:43:22 UTC |
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Primary ID | FDB112058 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Serylvaline |
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Description | Serylvaline, also known as SV or L-ser-L-val, 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. Serylvaline 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 serylvaline a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Serylvaline. |
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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 | C8H16N2O4 |
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IUPAC name | (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanoic acid |
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InChI Identifier | InChI=1S/C8H16N2O4/c1-4(2)6(8(13)14)10-7(12)5(9)3-11/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1 |
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InChI Key | ILVGMCVCQBJPSH-WDSKDSINSA-N |
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Isomeric SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CO)C(O)=O |
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Average Molecular Weight | 204.226 |
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Monoisotopic Molecular Weight | 204.111007003 |
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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
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Valine or derivatives
- N-acyl-l-alpha-amino acid
- Alpha-amino acid amide
- Serine or derivatives
- Alpha-amino acid or derivatives
- Branched fatty acid
- Hydroxy fatty acid
- Methyl-branched fatty acid
- Fatty acid
- Fatty acyl
- Carboxylic acid salt
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Amino acid
- Carboxamide group
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Primary alcohol
- Primary aliphatic amine
- Primary amine
- Organic zwitterion
- Organic salt
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- 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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Predicted GC-MS | Serylvaline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-052f-9200000000-e71682f77f049357aa30 | Spectrum | Predicted GC-MS | Serylvaline, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-2911100000-8b9539ec743754323b14 | Spectrum | Predicted GC-MS | Serylvaline, 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, Negative | splash10-0zmr-0940000000-07f651d28e23318ccb2b | 2017-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0avr-3910000000-4fc80f694029d3966e70 | 2017-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-096u-9200000000-67d3d2c53c716b96280a | 2017-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0909-5920000000-324afc60386235cc3578 | 2017-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-044l-9400000000-ce898e9e2efa44a12a79 | 2017-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dl-9100000000-28ab73e01ca6851f79a0 | 2017-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0ap0-6960000000-184f261932c6c13d0c18 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9300000000-7cfe71b1018408fcad7d | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0bt9-9000000000-894952fba8c77eb1036a | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-3290000000-8fa5f47c2363a27b9e46 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-9700000000-9c07a98029d6ef164a08 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-388426d7db4eae7aea96 | 2021-09-25 | 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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