Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-24 10:34:33 UTC |
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Update Date | 2021-09-24 10:34:33 UTC |
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HMDB ID | HMDB0304540 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | beta-D-ribosylnicotinate |
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Description | beta-D-ribosylnicotinate, also known as β-D-ribosylnicotinic acid, belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). beta-D-ribosylnicotinate has been detected, but not quantified in, several different foods, such as pineapples (Ananas comosus), garden rhubarbs (Rheum rhabarbarum), lupines (Lupinus), chinese cabbages (Brassica rapa), and dandelions (Taraxacum officinale). This could make beta-D-ribosylnicotinate a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on beta-D-ribosylnicotinate. |
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Structure | OCC1OC(C(O)C1O)[N+]1=CC(=CC=C1)C([O-])=O InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2 |
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Synonyms | Value | Source |
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b-D-Ribosylnicotinate | Generator | b-D-Ribosylnicotinic acid | Generator | beta-D-Ribosylnicotinic acid | Generator | Β-D-ribosylnicotinate | Generator | Β-D-ribosylnicotinic acid | Generator |
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Chemical Formula | C11H13NO6 |
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Average Molecular Weight | 255.226 |
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Monoisotopic Molecular Weight | 255.074287143 |
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IUPAC Name | 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1λ⁵-pyridin-1-ylium-3-carboxylate |
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Traditional Name | 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1λ⁵-pyridin-1-ylium-3-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | OCC1OC(C(O)C1O)[N+]1=CC(=CC=C1)C([O-])=O |
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InChI Identifier | InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2 |
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InChI Key | PUEDDPCUCPRQNY-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). |
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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 | Glycosylamines |
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Alternative Parents | |
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Substituents | - N-glycosyl compound
- Pentose monosaccharide
- Pyridine carboxylic acid
- Pyridine carboxylic acid or derivatives
- Alkaloid or derivatives
- Monosaccharide
- Pyridine
- Pyridinium
- Vinylogous amide
- Tetrahydrofuran
- Heteroaromatic compound
- Secondary alcohol
- Carboxylic acid salt
- Organoheterocyclic compound
- Oxacycle
- Azacycle
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic salt
- Organopnictogen compound
- Organonitrogen compound
- Alcohol
- Primary alcohol
- Organic nitrogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic zwitterion
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic 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 | Not Available |
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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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