Record Information |
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Version | 1.0 |
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Creation date | 2020-04-03 16:43:58 UTC |
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Update date | 2020-04-03 16:43:59 UTC |
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Primary ID | FDB098197 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Glutaminylhistidine |
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Description | Glutaminylhistidine, also known as Q-H dipeptide or GLN-his, 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. Glutaminylhistidine 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 glutaminylhistidine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glutaminylhistidine. |
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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 | C11H17N5O4 |
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IUPAC name | (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(1H-imidazol-5-yl)propanoic acid |
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InChI Identifier | InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)/t7-,8-/m0/s1 |
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InChI Key | JZOYFBPIEHCDFV-YUMQZZPRSA-N |
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Isomeric SMILES | [H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=O |
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Average Molecular Weight | 283.288 |
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Monoisotopic Molecular Weight | 283.128054047 |
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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
- Histidine or derivatives
- Glutamine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-l-alpha-amino acid
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Imidazolyl carboxylic acid derivative
- N-acyl-amine
- Fatty amide
- Fatty acyl
- Azole
- Heteroaromatic compound
- Imidazole
- Amino acid or derivatives
- Amino acid
- Primary carboxylic acid amide
- Secondary carboxylic acid amide
- Carboxamide group
- Azacycle
- Carboxylic acid
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Primary amine
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Organooxygen compound
- Primary aliphatic amine
- Organic oxide
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic 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 | Glutaminylhistidine, 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 | splash10-0159-0290000000-0277566ecd2416b20aea | 2018-11-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0gx0-7970000000-710b69e09df6a12fd231 | 2018-11-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9200000000-e8ebc1d5476a869fa4f4 | 2018-11-27 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-2b9d5ca4df8f843b8362 | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0540-9510000000-ed3317f2a969e022a420 | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a5i-9000000000-1b1a277ec0dc9c18340b | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0f89-0970000000-e820a1735aec7864c723 | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0ke9-3910000000-e1575ca2ee5673b72f22 | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-066r-9500000000-23de5ae74ea8b6d3b43c | 2021-10-11 | 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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