| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:07:08 UTC |
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| Update Date | 2016-11-09 01:09:37 UTC |
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| Accession Number | CHEM005850 |
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| Identification |
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| Common Name | GLUCOSE ISOMERASE FROM BACILLUS COAGULANS |
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| Class | Small Molecule |
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| Description | The open chain form of D-glucose. |
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| Contaminant Sources | - EAFUS Chemicals
- HPV EPA Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal | ChEBI | | D(+)-Glucose | ChEBI | | D-GLUCOSE in linear form | ChEBI | | Dextrose | ChEBI | | Glucose | ChEBI | | D-Glucose | ChEBI | | Dextrose, anhydrous | MeSH | | Glucose monohydrate | MeSH | | Glucose, (alpha-D)-isomer | MeSH | | L-Glucose | MeSH | | D Glucose | MeSH | | Glucose, (beta-D)-isomer | MeSH | | Anhydrous dextrose | MeSH | | Glucose, (DL)-isomer | MeSH | | L Glucose | MeSH | | Glucose, (L)-isomer | MeSH | | Monohydrate, glucose | MeSH |
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| Chemical Formula | C6H12O6 |
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| Average Molecular Mass | 180.156 g/mol |
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| Monoisotopic Mass | 180.063 g/mol |
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| CAS Registry Number | 977042-63-9 |
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| IUPAC Name | (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal |
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| Traditional Name | (+)-glucose |
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| SMILES | [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O |
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| InChI Identifier | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1 |
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| InChI Key | GZCGUPFRVQAUEE-SLPGGIOYSA-N |
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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
- Medium-chain aldehyde
- Beta-hydroxy aldehyde
- Alpha-hydroxyaldehyde
- Secondary alcohol
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Carbonyl group
- Aldehyde
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-2900000000-c4016915bf8076cc7215 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0bt9-9200000000-711c12695e6f5911d53d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-5d02bd18d01a3399e735 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-05w3-9700000000-905e72d9b43ba9fa3251 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4r-9200000000-3d066c51bbad694c40d8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-420242e5c9501890ed85 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB01914 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Glucose |
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| Chemspider ID | Not Available |
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| ChEBI ID | 42758 |
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| PubChem Compound ID | 107526 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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