Record Information |
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Version | 1.0 |
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Created at | 2022-01-20 17:57:20 UTC |
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Updated at | 2022-01-20 18:11:41 UTC |
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NP-MRD ID | NP0044225 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | beta-D-Glucose |
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Description | D-Glucose, also known as b-D-glucopyranose or beta-dextrose, belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. D-Glucose exists in all living species, ranging from bacteria to plants to humans. In humans, D-glucose is involved in the metabolic disorder called the sucrase-isomaltase deficiency pathway. D-Glucose is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. D-Glucose, with regard to humans, has been found to be associated with several diseases such as proprotein convertase 1/3 deficiency, wolcott-rallison syndrome, mitochondrial trifunctional protein deficiency, and maturity onset diabetes of the young, type 2; D-glucose has also been linked to the inborn metabolic disorder 3-methyl-crotonyl-glycinuria. It was first documented in 2021 (PMID: 34603605). Based on a literature review a significant number of articles have been published on D-Glucose (PMID: 34655918) (PMID: 34599988) (PMID: 34597153) (PMID: 34594566). |
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Structure | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 |
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Synonyms | Value | Source |
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WURCS=2.0/1,1,0/[a2122h-1b_1-5]/1/ | ChEBI | beta-D-Glucopyranose | Kegg | b-D-Glucopyranose | Generator | Glucose | HMDB | b-D-Glucose | HMDB | Β-D-glucose | HMDB | b-Dextrose | HMDB | b-Glucose | HMDB | beta-Dextrose | HMDB | beta-Glucose | HMDB | D Glucose | HMDB | Glucose, (beta-D)-isomer | HMDB | Dextrose | HMDB | Glucose, (DL)-isomer | HMDB | D-Glucopyranose | HMDB | D-Glucopyranoside | HMDB | beta-D-Glucopyranoside | HMDB | beta-D-Glucose | HMDB | Β-D-glucopyranoside | HMDB | Β-dextrose | HMDB | Β-glucose | HMDB | D-GLC | HMDB | D-GLCP | HMDB | GLC-OH | HMDB | D-Glucose | MeSH, HMDB |
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Chemical Formula | C6H12O6 |
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Average Mass | 180.1559 Da |
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Monoisotopic Mass | 180.06339 Da |
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IUPAC Name | (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
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Traditional Name | glucoside |
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CAS Registry Number | Not Available |
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SMILES | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
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InChI Identifier | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 |
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InChI Key | WQZGKKKJIJFFOK-VFUOTHLCSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | Ahselim | | | 2022-01-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | Ahselim | | | 2022-01-20 | View Spectrum | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. |
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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 | Hexoses |
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Alternative Parents | |
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Substituents | - Hexose monosaccharide
- Oxane
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- 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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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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General References | - Liang J, Pitsillou E, Ververis K, Guallar V, Hung A, Karagiannis TC: Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibition. J Mol Graph Model. 2022 Jan;110:108050. doi: 10.1016/j.jmgm.2021.108050. Epub 2021 Oct 11. [PubMed:34655918 ]
- Choi E, Baek S, Baek K, Kim HK: Psidium guajava L. leaf extract inhibits adipocyte differentiation and improves insulin sensitivity in 3T3-L1 cells. Nutr Res Pract. 2021 Oct;15(5):568-578. doi: 10.4162/nrp.2021.15.5.568. Epub 2021 Apr 8. [PubMed:34603605 ]
- Wang K, Guo J, Cheng J, Zhao X, Ma B, Yang X, Shao H: Ultrasound-assisted extraction of polysaccharide from spent Lentinus edodes substrate: Process optimization, precipitation, structural characterization and antioxidant activity. Int J Biol Macromol. 2021 Nov 30;191:1038-1045. doi: 10.1016/j.ijbiomac.2021.09.174. Epub 2021 Sep 30. [PubMed:34599988 ]
- Zhao N, Yang J, Liu H, Li L, Yan H, Liu D: Ginger Rhizome Rot caused by the Enterobacter cloacae in Tangshan, China. Plant Dis. 2021 Oct 1. doi: 10.1094/PDIS-08-21-1812-PDN. [PubMed:34597153 ]
- Parent EE, Johnson DR, Gleason T, Villanueva-Meyer JE: Neuro-Oncology Practice Clinical Debate: FDG PET to differentiate glioblastoma recurrence from treatment-related changes. Neurooncol Pract. 2021 May 4;8(5):518-525. doi: 10.1093/nop/npab027. eCollection 2021 Oct. [PubMed:34594566 ]
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