Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:33 UTC |
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Update date | 2019-11-26 02:54:46 UTC |
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Primary ID | FDB000418 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Galactosyl 4-hydroxyproline |
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Description | Galactosyl 4-hydroxyproline belongs to the class of organic compounds known as alpha-amino acyl ester of carbohydrates. Alpha-amino acyl ester of carbohydrates are compounds containing an amino acid esterified with a carbohydrate. Galactosyl 4-hydroxyproline is a very strong basic compound (based on its pKa). Galactosyl 4-hydroxyproline has been detected, but not quantified in, cereals and cereal products. This could make galactosyl 4-hydroxyproline a potential biomarker for the consumption of these foods. |
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CAS Number | 79284-73-4 |
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Structure | |
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Synonyms | Synonym | Source |
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3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxypyrrolidine-2-carboxylic acid | Generator | Galactosyl 4-hydroxyproline | manual |
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Predicted Properties | Not Available |
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Chemical Formula | C11H19NO8 |
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IUPAC name | |
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InChI Identifier | InChI=1S/C11H19NO8/c13-3-6-7(15)8(16)9(17)11(19-6)20-10(18)5-1-4(14)2-12-5/h4-9,11-17H,1-3H2 |
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InChI Key | GUEWQMQDXXTGGY-UHFFFAOYSA-N |
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Isomeric SMILES | OCC1OC(OC(=O)C2CC(O)CN2)C(O)C(O)C1O |
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Average Molecular Weight | 293.2705 |
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Monoisotopic Molecular Weight | 293.111066589 |
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Classification |
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Description | Belongs to the class of organic compounds known as alpha-amino acyl ester of carbohydrates. Alpha-amino acyl ester of carbohydrates are compounds containing an amino acid esterified with a carbohydrate. |
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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 | Alpha-amino acyl ester of carbohydrates |
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Alternative Parents | |
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Substituents | - Alpha-amino acyl ester of carbohydrate
- Fatty acyl glycoside
- Fatty acyl glycoside of mono- or disaccharide
- Proline or derivatives
- Hexose monosaccharide
- Pyrrolidine carboxylic acid
- Pyrrolidine carboxylic acid or derivatives
- Monosaccharide
- Oxane
- Fatty acyl
- Pyrrolidine
- Carboxylic acid ester
- 1,2-aminoalcohol
- Secondary alcohol
- Secondary amine
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Acetal
- Azacycle
- Secondary aliphatic amine
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Alcohol
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Amine
- Primary alcohol
- Organic oxide
- 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 - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 45.05%; H 6.53%; N 4.78%; O 43.64% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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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 | Galactosyl 4-hydroxyproline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000i-9220000000-7f7202983438a0d77782 | Spectrum | Predicted GC-MS | Galactosyl 4-hydroxyproline, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-0191001000-c0135205dedeea689d30 | 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 | splash10-03fr-1950000000-0b9e746cbd5a98fabc51 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-3920000000-8cc5b30f32a8aa9e4225 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9800000000-adbf40c77cc60c28a3e2 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-2920000000-61d77deb30a7083fb3e5 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-3910000000-9215f19d0a2970cc11b5 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-06sl-9500000000-0ca20dd173ed614c7986 | 2016-08-03 | 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 | HMDB29353 |
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CRC / DFC (Dictionary of Food Compounds) ID | KCQ80-R:BBY49-A |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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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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