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 02:56:00 UTC |
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Primary ID | FDB001145 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Lactose |
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Description | Occurs in mammalian milk (human 6-7%, cow 4-5%), fruits of sapodilla Achras sapota, and a few other plants. Nutrient. obtained industrially from whey
Lactose is a disaccharide sugar that is found most notably in milk and is formed from galactose and glucose. Lactose makes up around 2-8% of milk (by weight), although the amount varies among species and individuals. It is extracted from sweet or sour whey. [Wikipedia]. Lactose in the urine is a biomarker for the consumption of milk. Lactose is found in many foods, some of which are tortilla, swamp cabbage, scrapple, and spearmint. |
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CAS Number | 63-42-3 |
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Structure | |
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Synonyms | Synonym | Source |
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(+)-Lactose | ChEBI | (Gal)1 (GLC)1 | ChEBI | 1-beta-D-Galactopyranosyl-4-D-glucopyranose | ChEBI | 4-(beta-D-Galactosido)-D-glucose | ChEBI | 4-O-beta-D-Galactopyranosyl-D-glucose | ChEBI | beta-D-Gal-(1->4)-D-GLC | ChEBI | beta-D-Galp-(1->4)-D-GLCP | ChEBI | beta-Gal1,4-GLC | ChEBI | D-Lactose | ChEBI | Galbeta1-4GLC | ChEBI | Lac | ChEBI | Lactobiose | ChEBI | Laktobiose | ChEBI | Laktose | ChEBI | Milchzucker | ChEBI | Milk sugar | ChEBI | Lactose, anhydrous | Kegg | 1-b-D-Galactopyranosyl-4-D-glucopyranose | Generator | 1-Β-D-galactopyranosyl-4-D-glucopyranose | Generator | 4-(b-D-Galactosido)-D-glucose | Generator | 4-(Β-D-galactosido)-D-glucose | Generator | 4-O-b-D-Galactopyranosyl-D-glucose | Generator | 4-O-Β-D-galactopyranosyl-D-glucose | Generator | b-D-Gal-(1->4)-D-GLC | Generator | Β-D-gal-(1->4)-D-GLC | Generator | b-D-Galp-(1->4)-D-GLCP | Generator | Β-D-galp-(1->4)-D-GLCP | Generator | b-Gal1,4-GLC | Generator | Β-gal1,4-GLC | Generator | Galbeta1-4-GLC | ChEBI | Anhydrous lactose | MeSH | 1-b-D-Galactopyranosyl-4-a-D-glucopyranose | Generator | 1-beta-delta-Galactopyranosyl-4-alpha-delta-glucopyranose | HMDB | 1-β-D-galactopyranosyl-4-α-D-glucopyranose | Generator | 4-O-b-D-Galactopyranosyl-a-D-glucopyranose | Generator | 4-O-b-D-Galactopyranosyl-D-glucose, 9CI, 8CI | db_source | 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose | ChEBI | 4-O-Hexopyranosylhexose | HMDB | 4-O-β-D-galactopyranosyl-α-D-glucopyranose | Generator | a-Lactose | Generator | Aletobiose | HMDB | b-D-Galp-(1->4)-a-D-glcp | Generator | beta-D-Gal-1-4-D-Glc | biospider | beta-D-Galp-(1->4)-alpha-D-glcp | ChEBI | D-lactose | biospider | Dilactose | HMDB | Fast-flo lactose | HMDB | Flowlac 100 | HMDB | Galactinum | biospider | Glc-(4-1)Gal | biospider | Granulac 140m | HMDB | Lactin | db_source | Lactin (carbohydrate) | HMDB | Lactohale 300 | HMDB | Lactose anhydride | HMDB | Lactose fast-flo | HMDB | Osmolactan | HMDB | Pharmatosa dcl 21 | HMDB | Pharmatose 21 | HMDB | Pharmatose 325m | HMDB | Pharmatose dcl 15 | HMDB | Prismalac | HMDB | Respitose ml 003 | HMDB | Respitose sv 003 | HMDB | Saccharum lactin | HMDB | Sachelac | HMDB | Sorbalac 400 | HMDB | Sorbolac 400 | HMDB | Spherolac | HMDB | Super-tab | HMDB | Tablettose | HMDB | Tablettose 70 | HMDB | Tablettose 80 | HMDB | Zeparox ep | HMDB | α-lactose | Generator | β-D-galp-(1->4)-α-D-glcp | Generator |
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Predicted Properties | |
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Chemical Formula | C12H22O11 |
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IUPAC name | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1 |
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InChI Key | GUBGYTABKSRVRQ-QKKXKWKRSA-N |
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Isomeric SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |
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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
- Oxane
- Secondary alcohol
- Hemiacetal
- 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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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 42.11%; H 6.48%; O 51.42% | DFC |
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Melting Point | 201-202 oC | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 195 mg/mL at 20 oC | 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 | 0 | |
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Optical Rotation | Not Available | |
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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 | Not Available |
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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 | splash10-01tc-0419000000-7756e1f28bcc76e75af1 | 2017-07-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03fr-1915000000-f7a01cbe1a1eba1f39b1 | 2017-07-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01we-4920000000-0dcd848ee51f4218f67a | 2017-07-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-2379000000-abb41b2f1a43083992ca | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0200-3923000000-87a71f93194716a7f75d | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004l-6900000000-a0954b0f7ffc379d1dee | 2017-07-26 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 76293 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C00243 |
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Pubchem Compound ID | 84571 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 17716 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB04465 |
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HMDB ID | HMDB00186 |
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CRC / DFC (Dictionary of Food Compounds) ID | BTV09-V:BTV09-V |
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EAFUS ID | 1974 |
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Dr. Duke ID | LACTOSE |
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BIGG ID | 34366 |
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KNApSAcK ID | C00001136 |
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HET ID | LBT |
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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 | Lactose |
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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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Anti-encephalopathic | 52217 | An agent that protects against encephalopathy, a brain disease or damage. It plays a biological role in reducing brain inflammation and oxidative stress. Therapeutically, it is used to manage conditions such as hepatic encephalopathy, traumatic brain injury, and stroke, helping to improve cognitive function and overall brain health. | DUKE | Anti hepatotic | 62868 | An agent that protects the liver from damage, reducing inflammation and promoting liver health. It is used therapeutically to manage liver diseases, such as hepatitis and cirrhosis, and to prevent liver damage from toxins and medications. Key medical uses include treating liver conditions, supporting liver function, and preventing liver failure. | DUKE | Neoplastic | | An agent or effect that promotes abnormal tissue growth, often leading to cancer. Its biological role involves uncontrolled cell division. Therapeutically, neoplastic agents are used in cancer research and treatment, with key medical applications in oncology, including tumor growth studies and development of anti-cancer therapies. | 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 |
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Enzymes | Name | Gene Name | UniProt ID |
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Lactase-phlorizin hydrolase | LCT | P09848 | Beta-galactosidase | GLB1 | P16278 | Alpha-lactalbumin | LALBA | P00709 |
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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).
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