Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:51 UTC |
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Update date | 2019-11-26 02:55:58 UTC |
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Primary ID | FDB001131 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Sucrose |
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Description | Sweetening agent and food source assimilated by most organismsand is also used in food products as a preservative, antioxidant, moisture control agent, stabiliser and thickening agent. Widespread in seeds, leaves, fruits, flowers and roots of plants, where it functions as an energy store for metabolism and as a carbon source for biosynth. Annual world production is in excess of 90 x 106 tons mainly from the juice of sugar cane and sugar beet which contain respectively ca. 20% and ca. 17% of the sugar. Sucrose is found in many foods, some of which are rowanberry, brassicas, calabash, and hedge mustard. |
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CAS Number | 57-50-1 |
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Structure | |
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Synonyms | Synonym | Source |
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alpha-D-Allopyranosyl beta-D-fructofuranoside | MeSH, HMDB | Allosucrose | MeSH, HMDB | (+)-sucrose | biospider | (alpha-d-glucosido)-beta-d-fructofuranoside | biospider | β-d-fructofuranoside, α-d-glucopyranosyl | biospider | β-d-fructofuranosyl α-d-glucopyranoside | biospider | 1-a-D-Glucopyranosyl-2-b-D-fructofuranoside | Generator | 1-alpha-D-glucopyranosyl-2-beta-D-fructofranoside | biospider | 1-alpha-d-glucopyranosyl-2-beta-d-fructofuranoside | biospider | 1-α-D-glucopyranosyl-2-β-D-fructofuranoside | Generator | alpha-D-Glc-(1->2)-beta-D-Fru | biospider | alpha-D-Glc-(1-2)-beta-D-Fru | biospider | Alpha-d-glucopyranoside, beta-d-fructofuranosyl | biospider | Alpha-d-glucopyranoside, beta-d-fructofuranosyl- | biospider | Alpha-d-glucopyranosyl beta-d-fructofuranoside | biospider | Alpha-d-glucopyranosylbeta-d-fructofuranoside | biospider | B -d-fructofuranosyl a-d-glucopyranoside | biospider | b-D-Fructofuranosyl a-D-glucopyranoside, 9CI | db_source | b-D-Fruf-(21)-a-D-glcp | Generator | Beet sugar | db_source | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranoside | biospider | Beta-d-fructofuranosyl alpha-d-glucopyranoside | biospider | Beta-d-fructofuranosyl-alpha-d-glucopyranoside | biospider | beta-D-Fruf-(2<->1)-alpha-D-Glcp | biospider | beta-D-Fruf-(21)-alpha-D-glcp | ChEBI | Cane sugar | db_source | D-(+)-saccharose | biospider | D-(+)-sucrose | biospider | D-sucrose | biospider | D(+)-saccharose | biospider | D(+)-sucrose | biospider | Fructofuranoside, alpha-d-glucopyranosyl, beta-d | biospider | Glucopyranoside, beta-d-fructofuranosyl, alpha-d | biospider | Sacarosa | ChEBI | Saccharose | db_source | Saccharum | HMDB | Sacharose | ChEBI | Sugar | HMDB | Table sugar | ChEBI | White sugar | ChEBI | β-D-fruf-(21)-α-D-glcp | Generator |
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Predicted Properties | |
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Chemical Formula | C12H22O11 |
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IUPAC name | 2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 |
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InChI Key | CZMRCDWAGMRECN-UHFFFAOYSA-N |
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Isomeric SMILES | OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
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Average Molecular Weight | 342.2965 |
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Monoisotopic Molecular Weight | 342.116211546 |
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Classification |
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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
- C-glycosyl compound
- Ketal
- Oxane
- Tetrahydrofuran
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- 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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Disposition | Source: |
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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 42.11%; H 6.48%; O 51.42% | DFC |
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Melting Point | Mp 185-187° | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 2100 mg/mL at 25 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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Experimental logP | -3.70 | HANSCH,C ET AL. (1995) |
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Experimental pKa | 12.6 | |
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Isoelectric point | Not Available | |
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Charge | 0 | |
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Optical Rotation | [a]D +66.5 (H2O) | 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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GC-MS | Sucrose, 8 TMS, GC-MS Spectrum | splash10-03xr-0964100000-b1da9d86f314e79e4fbc | Spectrum | Predicted GC-MS | Sucrose, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-014i-3551139000-25be8b9e4918e1fd3cb3 | Spectrum | Predicted GC-MS | Sucrose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0nt9-9576000000-4af9cf7cb58154231f7b | Spectrum | Predicted GC-MS | Sucrose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_3_50, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_3_53, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_3_55, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_5, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_6, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_7, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_9, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_15, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_16, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_17, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_19, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_21, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_23, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_24, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_25, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_27, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_29, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_30, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Sucrose, TMS_4_32, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | 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 | splash10-000x-0709000000-09b3d35b7d6a4dc357bf | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001s-3920000000-c84d50bd01956b1b810c | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-006w-9410000000-e8dd5d98ff469d52dd33 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002o-0908000000-be3594ef8896c1cb86fb | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a6r-9633000000-4209813458884c7aec8e | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-7900000000-3b2f87c483af7aa103ce | 2021-10-12 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 5768 |
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ChEMBL ID | CHEMBL253582 |
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KEGG Compound ID | C00089 |
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Pubchem Compound ID | 5988 |
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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 | HMDB00258 |
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CRC / DFC (Dictionary of Food Compounds) ID | BTP29-X:BTP29-X |
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EAFUS ID | 3563 |
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Dr. Duke ID | SACCHAROSE|SUCROSE|SUGAR |
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BIGG ID | 33807 |
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KNApSAcK ID | C00001151 |
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HET ID | SUC |
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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 | rw1284821 |
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SuperScent ID | Not Available |
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Wikipedia ID | Sucrose |
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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 | Descriptor | ID | Definition | Reference |
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Aggregant | | An agent that promotes conjugation or collection of particulars into a whole, playing a biological role in blood coagulation and platelet aggregation. Therapeutically, it has applications in wound healing and hemostasis, with key medical uses including treatment of bleeding disorders and prevention of excessive bleeding during surgery. | DUKE | Anti hiccup | | An agent that relieves hiccups, or the involuntary contraction of the diaphragm, by regulating nerve impulses, often used to treat intractable or persistent hiccups, and sometimes applied in anesthesia and gastroesophageal reflux disease management. | DUKE | Anti-ophthalmic | | An agent that prevents or treats eye disorders, such as night blindness, inflammation, or dryness, often involving fat-soluble vitamins, particularly Vitamin A, to maintain healthy vision and protect the eyes. | DUKE | Anti-oxidant | 22586 | An agent that neutralizes free radicals, reducing oxidative stress and cell damage. Its biological role involves protecting cells from harm, and it has therapeutic applications in managing chronic diseases, such as cancer, diabetes, and neurodegenerative disorders, with key medical uses including anti-aging, anti-inflammatory, and cardio protective effects. | DUKE | Atherogenic | | An agent that promotes the formation of fatty plaques in arteries, contributing to atherosclerosis. It plays a biological role in lipid metabolism and vascular disease. Therapeutically, understanding atherogenic mechanisms informs treatments for cardiovascular disease, with key medical applications in managing high cholesterol, hypertension, and preventing heart attacks and strokes. | DUKE | Collyrium | | An eye cleanser, used to treat eye diseases, reducing inflammation and discomfort, and promoting healing, commonly applied in ophthalmic conditions. | DUKE | Demulcent | | An agent that forms a soothing film over a mucous membrane, relieving minor pain and inflammation, commonly used to protect and calm irritated tissues in the throat, mouth, and digestive tract. | DUKE | Flatugenic | | An agent that induces flatulence, increasing gas in the digestive system. Its biological role involves stimulating bowel movements and relieving constipation. Therapeutically, it has applications in managing gastrointestinal disorders. Key medical uses include treating constipation, diverticulitis, and irritable bowel syndrome, promoting regular bowel movements and relieving symptoms. | DUKE | Hypercholesterolemic | | A condition characterized by excessive cholesterol in the blood, playing a key role in cardiovascular disease. Therapeutically, hypercholesterolemic agents are used to lower cholesterol levels, with medical applications including the prevention and treatment of atherosclerosis, coronary artery disease, and stroke. | DUKE | Preservative | 65255 | An agent that prevents spoilage and extends shelf life, playing a biological role in inhibiting microbial growth. Therapeutically, preservatives are used to prevent contamination and degradation of pharmaceuticals, cosmetics, and food products, ensuring safety and efficacy. Key medical uses include sterilization and stabilization of medical preparations, such as vaccines, ointments, and injectables. | DUKE | Sweetener | 50505 | A substance that adds sweetness to food and beverages, often used as a sugar substitute. Its biological role is to stimulate taste receptors, while its therapeutic applications include managing calorie intake and blood sugar levels. Key medical uses include treating diabetes and obesity, as well as reducing tooth decay risk. | DUKE | Triglycerigenic | | An agent that stimulates triglyceride production, facilitating bidirectional transfer of adipose fat and blood glucose from the liver, with potential therapeutic applications in managing lipid metabolism and glucose homeostasis, and key medical uses in treating dyslipidemia and related metabolic disorders. | DUKE | Uricogenic | | An agent that promotes breakdown of purines, leading to uric acid production, playing a role in gout management and kidney stone prevention, with potential therapeutic applications in treating hyperuricemia and related disorders. | DUKE | Vulnerary | 73336 | An agent that promotes wound healing, tissue repair, and skin regeneration. It facilitates the biological process of recovery, reducing inflammation and infection. Therapeutically, vulneraries are used to treat cuts, burns, ulcers, and other skin injuries, supporting the body's natural healing mechanisms and minimizing scarring. | DUKE |
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Enzymes | Name | Gene Name | UniProt ID |
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Alpha-galactosidase A | GLA | P06280 | Sucrase-isomaltase, intestinal | SI | P14410 | Lysosomal alpha-glucosidase | GAA | P10253 | Maltase-glucoamylase, intestinal | MGAM | O43451 | Neutral alpha-glucosidase C | GANC | Q8TET4 |
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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 | — Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008). — U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page. — 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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