Record Information |
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Version | 1.0 |
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Creation date | 2020-04-06 12:08:08 UTC |
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Update date | 2020-04-06 23:43:22 UTC |
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Primary ID | FDB112029 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Prolyl-Cysteine |
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Description | Prolyl-Cysteine, also known as p-C dipeptide or pro-cys, 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. Prolyl-Cysteine 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 prolyl-cysteine a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Prolyl-Cysteine. |
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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 | C8H14N2O3S |
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IUPAC name | 2-[(pyrrolidin-2-yl)formamido]-3-sulfanylpropanoic acid |
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InChI Identifier | InChI=1S/C8H14N2O3S/c11-7(5-2-1-3-9-5)10-6(4-14)8(12)13/h5-6,9,14H,1-4H2,(H,10,11)(H,12,13) |
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InChI Key | HXNYBZQLBWIADP-UHFFFAOYSA-N |
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Isomeric SMILES | OC(=O)C(CS)NC(=O)C1CCCN1 |
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Average Molecular Weight | 218.273 |
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Monoisotopic Molecular Weight | 218.072513014 |
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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
- Proline or derivatives
- Alpha-amino acid amide
- Cysteine or derivatives
- Alpha-amino acid or derivatives
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidine-2-carboxamide
- Pyrrolidine
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Organoheterocyclic compound
- Secondary amine
- Azacycle
- Alkylthiol
- Carboxylic acid
- Secondary aliphatic amine
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxide
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Amine
- Organosulfur compound
- Organic nitrogen compound
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | Prolyl-Cysteine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dj-9200000000-25a8c4411718fb6aea09 | Spectrum | Predicted GC-MS | Prolyl-Cysteine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9510000000-978363c8f7c5f63ca7ca | Spectrum | Predicted GC-MS | Prolyl-Cysteine, 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 | splash10-0gi0-5390000000-0393a53e04a7075557ac | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9200000000-fff7c958a433fcafb7c4 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9000000000-a0ae22600c1d6e55500c | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0159-2890000000-834ba90e60243cb9ed1f | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00sa-4910000000-768b37965ef6cd5aa1bd | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00ec-9200000000-3eff9d65246953358bed | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-006t-9000000000-2e9e8efc641c3dfd18bb | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9200000000-74b5d6a630625b7798aa | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9000000000-046379029faba88e1868 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001j-9430000000-263ecb815c5f7f42dd90 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00m4-9200000000-a7f6d6ce693091f9c432 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00lr-9000000000-d0f71359efaddc683c3c | 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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