Record Information |
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Version | 1.0 |
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Creation date | 2020-04-06 12:19:44 UTC |
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Update date | 2020-04-06 23:43:23 UTC |
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Primary ID | FDB112096 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Tryptophyl-Serine |
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Description | Tryptophyl-Serine, also known as W-S dipeptide or TRP-ser, 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-Serine 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-serine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Tryptophyl-Serine. |
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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 | C14H17N3O4 |
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IUPAC name | 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid |
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InChI Identifier | InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21) |
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InChI Key | MYVYPSWUSKCCHG-UHFFFAOYSA-N |
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Isomeric SMILES | NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CO)C(O)=O |
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Average Molecular Weight | 291.3025 |
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Monoisotopic Molecular Weight | 291.121906047 |
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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
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Serine or derivatives
- Triptan
- Alpha-amino acid or derivatives
- 3-alkylindole
- Indole
- Indole or derivatives
- Beta-hydroxy acid
- Aralkylamine
- Fatty amide
- Hydroxy acid
- Substituted pyrrole
- Fatty acyl
- Benzenoid
- Pyrrole
- Heteroaromatic compound
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Organoheterocyclic compound
- Azacycle
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Primary amine
- Primary aliphatic amine
- Organic oxide
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Organonitrogen compound
- Carbonyl group
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Amine
- Primary alcohol
- 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-Serine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0543-9740000000-87238ef494827ee22123 | Spectrum | Predicted GC-MS | Tryptophyl-Serine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ec-9132100000-384752296f99b7494df5 | Spectrum | Predicted GC-MS | Tryptophyl-Serine, 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 | splash10-059f-0490000000-b2d578d7b14f91fbc6c7 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4u-4930000000-ac3c0f83fb9bd496447d | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053u-2900000000-3ec86a06d160fecdf7a0 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0090000000-9993c7061feb66b66bc6 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0h54-2190000000-315169be780ea581b367 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0k9i-9810000000-63e36803e3192b745da2 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-006x-0190000000-15051f96b98a4cf13765 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9340000000-9d508f19adb0d0ea23fa | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-06dl-9600000000-75a3cd89f3c2c8ab8f99 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0890000000-de54fc146f106379c42c | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-1900000000-ce9834eda833215ddd40 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-1900000000-0fdee43b8be55b242e1d | 2021-09-24 | 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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