Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:52 UTC |
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Update date | 2019-11-26 02:56:03 UTC |
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Primary ID | FDB001176 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Isodulcitol |
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Description | Constituent of many glycosides in plants. Quercetin (main constituent of lemon flavin) and Naringin (from grapefruit-canning wastes) have been used as sources
A methylpentose whose L- isomer is found naturally in many plant glycosides and some gram-negative bacterial lipopolysaccharides.; Rhamnose (Rham) is a naturally-occurring deoxy sugar. It can be classified as either a methyl-pentose or a 6-deoxy-hexose. Rhamnose occurs in nature in its L-form as L-rhamnose (6-deoxy-L-mannose). This is unusual, since most of the naturally-occurring sugars are in D-form. Exceptions are the methyl pentoses L-fucose and L-rhamnose and the pentose L-arabinose.; Rhamnose is a component of the outer cell membrane of acid-fast bacteria in the Mycobacterium genus, which includes the organsism that causes tuberculosis. Isodulcitol is found in many foods, some of which are tarragon, sweet basil, garden cress, and coconut. |
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CAS Number | 3615-41-6 |
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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 | C18H36O15 |
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IUPAC name | 2,3,4,5-tetrahydroxyhexanal; 5-(1-hydroxyethyl)oxolane-2,3,4-triol; 6-methyloxane-2,3,4,5-tetrol |
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InChI Identifier | InChI=1S/3C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5;1-2-3(7)4(8)5(9)6(10)11-2;1-3(8)5(10)6(11)4(9)2-7/h2*2-10H,1H3;2-6,8-11H,1H3 |
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InChI Key | LSOFIIQFGYOXNZ-UHFFFAOYSA-N |
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Isomeric SMILES | CC(O)C(O)C(O)C(O)C=O.CC(O)C1OC(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O |
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Average Molecular Weight | 492.4694 |
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Monoisotopic Molecular Weight | 492.205420482 |
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Classification |
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Description | Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. |
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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 | Carbonyl compounds |
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Direct Parent | Medium-chain aldehydes |
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Alternative Parents | |
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Substituents | - Medium-chain aldehyde
- Monosaccharide
- Beta-hydroxy aldehyde
- Alpha-hydroxyaldehyde
- Tetrahydrofuran
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Not Available |
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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 | 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 43.90%; H 7.37%; O 48.73% | DFC |
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Melting Point | Mp 93-95° (hydrate) | DFC |
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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 | [a]D +8.9 (H2O, at equilibrium) | 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 | Not Available |
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External Links |
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ChemSpider ID | 23642 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C00507 |
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Pubchem Compound ID | 25310 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16055 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB01869 |
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HMDB ID | HMDB00849 |
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CRC / DFC (Dictionary of Food Compounds) ID | HBK38-S:BVJ77-U |
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EAFUS ID | 3290 |
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Dr. Duke ID | L-RHAMNOSE|RHAMNOSE |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | 1CB8 |
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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 | rw1037731 |
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SuperScent ID | Not Available |
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Wikipedia ID | Rhamnose |
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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 | Flavor | Citations |
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odorless |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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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).
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