Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:39 UTC |
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Update date | 2019-11-26 02:55:10 UTC |
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Primary ID | FDB000661 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Raffinose |
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Description | Occurs in cotton seeds, sugar beet and manna. Widely distributed in plants, especies in the seeds. Sweet taste. Sweetness 0.48 x sucrose
Raffinose is a complex carbohydrate, a trisaccharide composed of galactose, fructose, and glucose. It can be found in beans, cabbage, brussels sprouts, broccoli, asparagus, other vegetables, and whole grains. Raffinose is hydrolysed to D-galactose and sucrose by D-galactosidase (D-GAL) (1). D-GAL also hydrolyses other D-galactosides such as stachyose, verbascose, and galactinol [1-O-(D-galactosyl)-myoinositol], if present. The enzyme does not cleave linked galactose, as in lactose. -- Wikipedia; Raffinose is a trisaccharide composed of galactose, fructose, and glucose. It can be found in beans, cabbage, brussels sprouts, broccoli, asparagus, other vegetables, and whole grains. Raffinose can be hydrolyzed to D-galactose and sucrose by the enzyme ?-galactosidase (?-GAL), an enzyme not found in the human digestive tract. ?-GAL also hydrolyzes other ?-galactosides such as stachyose, verbascose, and galactinol, if present. The enzyme does not cleave ?-linked galactose, as in lactose.; Raffinose is also known as melitose and may be thought of as galactose + sucrose connected via an alpha(1-6) glycosidic linkage and so raffinose can be broken apart into galactose and sucrose via the enzyme alpha-galactosidase. Human intestines do not contain this enzyme. -- Wikipedia; Trisaccharide; A trisaccharide occurring in Australian manna (from Eucalyptus spp, Myrtaceae) and in cottonseed meal. -- Pubchem. |
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CAS Number | 512-69-6 |
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Structure | |
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Synonyms | Synonym | Source |
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Not Available | Not Available |
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Predicted Properties | |
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Chemical Formula | C18H32O16 |
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IUPAC name | 2-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2 |
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InChI Key | MUPFEKGTMRGPLJ-UHFFFAOYSA-N |
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Isomeric SMILES | OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O |
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Average Molecular Weight | 504.4371 |
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Monoisotopic Molecular Weight | 504.169034976 |
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Classification |
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Description | Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Oligosaccharides |
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Alternative Parents | |
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Substituents | - Oligosaccharide
- C-glycosyl compound
- Glycosyl compound
- O-glycosyl compound
- Ketal
- Oxane
- Tetrahydrofuran
- Secondary alcohol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Alcohol
- Primary alcohol
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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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 | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | C 42.86%; H 6.39%; O 50.75% | DFC |
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Melting Point | Mp 118° (anhyd.) | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 203 mg/mL | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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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 | [a]D +123 (c, 2 in H2O) (anhyd.) | DFC |
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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 | Raffinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0079-5312900000-8c1da6b96f865046dbc2 | Spectrum | Predicted GC-MS | Raffinose, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001j-4901027000-c14285b3dedf9a545038 | 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 | splash10-01q9-0901000000-16626312db2eecdabfad | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03gi-0905000000-addfdf153c257344d036 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dl-9800000000-7c8dcd3c627e5d3ba25d | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01q9-0901000000-16626312db2eecdabfad | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03gi-0905000000-addfdf153c257344d036 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dl-9800000000-7c8dcd3c627e5d3ba25d | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-2901000000-0bb4fa33c7a31ca7c165 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03fr-1900000000-cde6726b02a16b9fff3c | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002e-6910000000-9efcfdce81511949fe06 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-2901000000-0bb4fa33c7a31ca7c165 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03fr-1900000000-cde6726b02a16b9fff3c | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002e-6910000000-9efcfdce81511949fe06 | 2015-04-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 10102 |
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ChEMBL ID | CHEMBL175500 |
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KEGG Compound ID | C00492 |
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Pubchem Compound ID | 10542 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16634 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB03213 |
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CRC / DFC (Dictionary of Food Compounds) ID | BFL28-I:BFL28-I |
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EAFUS ID | Not Available |
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Dr. Duke ID | RAFFINOSE |
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BIGG ID | Not Available |
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KNApSAcK ID | C00001145 |
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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 | Raffinose |
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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 | |
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Enzymes | Name | Gene Name | UniProt ID |
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Alpha-galactosidase A | GLA | P06280 |
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Pathways | |
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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 | show |
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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 | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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