Record Information |
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Version | 1.0 |
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Creation date | 2020-04-06 12:20:26 UTC |
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Update date | 2020-04-06 23:43:23 UTC |
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Primary ID | FDB112100 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Tryptophyl-Valine |
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Description | Tryptophyl-Valine, also known as W-V dipeptide or TRP-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. Tryptophyl-Valine 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 tryptophyl-valine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Tryptophyl-Valine. |
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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 | C16H21N3O3 |
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IUPAC name | 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid |
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InChI Identifier | InChI=1S/C16H21N3O3/c1-9(2)14(16(21)22)19-15(20)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8-9,12,14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22) |
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InChI Key | LWFWZRANSFAJDR-UHFFFAOYSA-N |
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Isomeric SMILES | CC(C)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O |
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Average Molecular Weight | 303.3562 |
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Monoisotopic Molecular Weight | 303.158291553 |
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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
- Valine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Triptan
- Alpha-amino acid or derivatives
- 3-alkylindole
- Indole
- Indole or derivatives
- Aralkylamine
- Fatty amide
- Substituted pyrrole
- Fatty acyl
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Organoheterocyclic compound
- Azacycle
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Organonitrogen compound
- Carbonyl group
- Organooxygen compound
- Amine
- Primary amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | Tryptophyl-Valine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-3910000000-41183d261ea9802f5f97 | Spectrum | Predicted GC-MS | Tryptophyl-Valine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-5910000000-36956180c8b9f7f4124e | Spectrum | Predicted GC-MS | Tryptophyl-Valine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Tryptophyl-Valine, 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 | splash10-0pbi-0896000000-4122cc44b77798f95ae1 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0abc-3910000000-96506277cf1951dd5f39 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001l-2900000000-747c88379357ad5ff2d8 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0169000000-94e49a7d231f21d54124 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-1009-3894000000-42e5a472317bea545cc5 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01bd-7900000000-230ee9e6c00dd4534eda | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0029000000-dd0730c6a93e045a1443 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056r-2951000000-8a3a86c73e87b8dcfd9d | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014l-7900000000-72fada81b02e7ba76718 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000f-0891000000-4894cb69aa36c751291b | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0910000000-91d02659f63ca02b20ce | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-4900000000-a5a300b4671aa3a072ab | 2021-09-22 | 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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