Record Information |
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Version | 1.0 |
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Creation date | 2020-04-06 12:21:18 UTC |
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Update date | 2020-04-06 23:43:23 UTC |
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Primary ID | FDB112105 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Tyrosyl-Aspartate |
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Description | Tyrosyl-Aspartate, also known as y-D dipeptide or tyr-asp, 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-Aspartate 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 tyrosyl-aspartate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Tyrosyl-Aspartate. |
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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 | C13H16N2O6 |
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IUPAC name | 2-[2-amino-3-(4-hydroxyphenyl)propanamido]butanedioic acid |
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InChI Identifier | InChI=1S/C13H16N2O6/c14-9(5-7-1-3-8(16)4-2-7)12(19)15-10(13(20)21)6-11(17)18/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21) |
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InChI Key | QZOSVNLXLSNHQK-UHFFFAOYSA-N |
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Isomeric SMILES | NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(O)=O)C(O)=O |
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Average Molecular Weight | 296.2759 |
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Monoisotopic Molecular Weight | 296.100836254 |
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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
- Aspartic acid or derivatives
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Acyl-homoserine
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Amphetamine or derivatives
- Aralkylamine
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Fatty amide
- Fatty acyl
- Benzenoid
- Dicarboxylic acid or derivatives
- Monocyclic benzene moiety
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Carboxylic acid
- Primary aliphatic amine
- Hydrocarbon derivative
- Amine
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Primary amine
- 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 | Tyrosyl-Aspartate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0il9-4940000000-b10946067e84ffc406da | Spectrum | Predicted GC-MS | Tyrosyl-Aspartate, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-8546900000-fdebd9ac07ae04c0f222 | Spectrum | Predicted GC-MS | Tyrosyl-Aspartate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Tyrosyl-Aspartate, 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 | splash10-01t9-0390000000-019f399b83d4fe2ee4f4 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00kr-4930000000-deabbba463fc5866341f | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4r-3900000000-202efe1c601060c361c8 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0f6t-0090000000-39f50967e54659be5111 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0gz9-1590000000-7e764e95c12d4344be45 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03ei-7900000000-e9db5fad4f4dd90947c3 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000b-0490000000-a35372ee5796cf2ac4cb | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05n0-0900000000-be7a46479d95c4966e98 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ab9-3900000000-429bd94c293b4f2ab39e | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fs-2980000000-c53dd955b1b964122a2e | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9600000000-b9dd76ce3c74b658f3b7 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000f-9300000000-b1613f6a9efe34281059 | 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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