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 | FDB000419 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 4-Hydroxyproline galactoside |
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Description | 4-Hydroxyproline galactoside belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. 4-Hydroxyproline galactoside is a very strong basic compound (based on its pKa). |
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CAS Number | 80185-44-0 |
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Structure | |
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Synonyms | Synonym | Source |
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4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylate | Generator | 4-Hydroxyproline galactoside | manual | L-trans-4-hydroxy-2-pyrrolidinecarboxylic acid galactoside | manual | L-trans-4-hydroxy-2-pyrrolidinecarboxylic acid O-b-D-galactopyranoside | manual | L-trans-4-hydroxy-2-pyrrolidinecarboxylic acid O-b-D-galactoside | manual | L-trans-4-Hydroxyproline galactoside | manual |
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Predicted Properties | |
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Chemical Formula | C11H19NO8 |
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IUPAC name | 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylic acid |
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InChI Identifier | InChI=1S/C11H19NO8/c13-3-6-7(14)8(15)9(16)11(20-6)19-4-1-5(10(17)18)12-2-4/h4-9,11-16H,1-3H2,(H,17,18) |
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InChI Key | OJEYXWIZDRJBDC-UHFFFAOYSA-N |
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Isomeric SMILES | OCC1OC(OC2CNC(C2)C(O)=O)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 fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acyl glycosides |
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Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
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Alternative Parents | |
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Substituents | - Fatty acyl glycoside of mono- or disaccharide
- Proline or derivatives
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidine carboxylic acid
- Monosaccharide
- Oxane
- Pyrrolidine
- Amino acid or derivatives
- Amino acid
- Secondary alcohol
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Secondary aliphatic amine
- Oxacycle
- Monocarboxylic acid or derivatives
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Polyol
- Organic oxide
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Amine
- Organopnictogen compound
- Carbonyl group
- Organonitrogen compound
- Organooxygen compound
- Alcohol
- Primary alcohol
- 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 | 4-Hydroxyproline galactoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01u1-5590000000-4f32dd37fce10f92cc3b | Spectrum | Predicted GC-MS | 4-Hydroxyproline galactoside, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000i-3201269000-4a8fb79ac67fd47a427e | 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 | splash10-03ec-2960000000-34b0f08af5e1bbbbaae0 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03e9-5910000000-1ad45e7f96ba99d6ebcd | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03e9-9600000000-440e62fca8a27855968b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01po-2970000000-c80283cca7ceb5bae949 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-5920000000-c5ac104e23220e66e174 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001r-9300000000-7b9c72c8d26e418d42eb | 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 | HMDB29354 |
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CRC / DFC (Dictionary of Food Compounds) ID | KCQ80-R:BBY51-V |
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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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