Record Information |
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Version | 1.0 |
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Creation date | 2020-04-03 16:48:07 UTC |
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Update date | 2020-04-03 16:48:08 UTC |
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Primary ID | FDB098231 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Tyrosyl-Leucine |
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Description | Tyrosyl-Leucine, also known as y-L dipeptide or tyr-leu, 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. Tyrosyl-Leucine has been detected, but not quantified in, several different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), domestic pigs (Sus scrofa domestica), and milk (cow). This could make tyrosyl-leucine a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Tyrosyl-Leucine. |
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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 | C15H22N2O4 |
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IUPAC name | 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-methylpentanoic acid |
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InChI Identifier | InChI=1S/C15H22N2O4/c1-9(2)7-13(15(20)21)17-14(19)12(16)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21) |
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InChI Key | AUEJLPRZGVVDNU-UHFFFAOYSA-N |
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Isomeric SMILES | CC(C)CC(N=C(O)C(N)CC1=CC=C(O)C=C1)C(O)=O |
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Average Molecular Weight | 294.3462 |
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Monoisotopic Molecular Weight | 294.157957202 |
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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
- Tyrosine or derivatives
- Phenylalanine or derivatives
- Leucine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Amphetamine or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Aralkylamine
- Benzenoid
- Fatty acyl
- Monocyclic benzene moiety
- Fatty amide
- Amino acid
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Amine
- Primary aliphatic amine
- Organopnictogen compound
- Organic oxide
- Organonitrogen compound
- Carbonyl group
- Organooxygen compound
- Organic oxygen compound
- Organic nitrogen compound
- Primary amine
- Hydrocarbon derivative
- 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 | Tyrosyl-Leucine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000l-4910000000-711a5382e400d3b41cf8 | Spectrum | Predicted GC-MS | Tyrosyl-Leucine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-4191000000-7afee3fd243ab6e3a997 | Spectrum | Predicted GC-MS | Tyrosyl-Leucine, 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 | splash10-002k-0590000000-c8221005bf43c2415430 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00kr-3920000000-e518ddadf89a8ded4dc7 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-4900000000-4fad3ce6a27e0b81e0e8 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0190000000-f026d1fddf348ce13ed0 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01u4-3980000000-d837848997dc913a9c78 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03l0-7900000000-c2bed71df9e81e4b9dda | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000b-0890000000-f0d64a37f5588ed3f8d4 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0080-2910000000-843e17bab6e7d0ba889c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0aba-4900000000-65f15fba6370202f2b6e | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0940000000-8d0d3fa06d0e197f3a0a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01u0-1900000000-fd1d42b59fc990922cea | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9800000000-abcb371dde8ab0749077 | 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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