Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-23 17:47:16 UTC |
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Update Date | 2021-09-23 17:47:16 UTC |
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HMDB ID | HMDB0302439 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Rutinose |
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Description | Rutinose, also known as 6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose or (α-rhamnopyranosyl-β-glucopyranose, is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Rutinose is soluble (in water) and a very weakly acidic compound (based on its pKa). Rutinose can be found in capers, which makes rutinose a potential biomarker for the consumption of this food product. |
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Structure | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1 |
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Synonyms | Value | Source |
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6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose | ChEBI | 6-O-(6-Deoxy-alpha-L-mannopyranosyl)-D-glucose | ChEBI | 6-O-alpha-L-Rhamnopyranosyl-D-glucose | ChEBI | 6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranose | Generator | 6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranose | Generator | 6-O-(6-Deoxy-a-L-mannopyranosyl)-D-glucose | Generator | 6-O-(6-Deoxy-α-L-mannopyranosyl)-D-glucose | Generator | 6-O-a-L-Rhamnopyranosyl-D-glucose | Generator | 6-O-Α-L-rhamnopyranosyl-D-glucose | Generator |
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Chemical Formula | C12H22O10 |
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Average Molecular Weight | 326.2971 |
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Monoisotopic Molecular Weight | 326.121296924 |
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IUPAC Name | (2R,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol |
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Traditional Name | rutinose |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1 |
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InChI Key | OVVGHDNPYGTYIT-BNXXONSGSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
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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 | O-glycosyl compounds |
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Alternative Parents | |
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Substituents | - O-glycosyl compound
- Disaccharide
- Oxane
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Hydrocarbon derivative
- Alcohol
- 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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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesNot Available | Show more...
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