Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-27 02:03:47 UTC |
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Update Date | 2016-11-09 01:22:41 UTC |
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Accession Number | CHEM042466 |
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Identification |
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Common Name | β-D-glucose 1-phosphate |
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Class | Small Molecule |
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Description | The beta-anomer of D-glucose 1-phosphate. |
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Contaminant Sources | |
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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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1-O-Phosphono-beta-D-glucopyranose | ChEBI | 1-Phospho-beta-D-glucopyranose | ChEBI | 1-O-Phosphono-b-D-glucopyranose | Generator | 1-O-Phosphono-β-D-glucopyranose | Generator | 1-Phospho-b-D-glucopyranose | Generator | 1-Phospho-β-D-glucopyranose | Generator | b-D-Glucose 1-phosphate | Generator | b-D-Glucose 1-phosphoric acid | Generator | beta-D-Glucose 1-phosphoric acid | Generator | Β-D-glucose 1-phosphate | Generator | Β-D-glucose 1-phosphoric acid | Generator | Glucose-1-phosphate, lead salt | MeSH | Glucose-1-phosphate, disodium salt | MeSH | Glucose-1-phosphate, disodium salt, (D-GLC)-isomer | MeSH | Glucose-1-phosphate, sodium salt, (D-GLC)-isomer | MeSH | Glucose-1-phosphate | MeSH | Glucose-1-phosphate, (D-GLC)-isomer | MeSH | Glucose-1-phosphate, (beta-D-GLC)-isomer | MeSH | alpha-Glucose-1-phosphate | MeSH | Glucose-1-phosphate, monocalcium salt | MeSH | beta-Glucose-1-phosphate | MeSH | Glucose-1-phosphate, dipotassium salt | MeSH | Glucose-1-phosphate, dipotassium salt, (D-GLC)-isomer | MeSH | Dol-P-GLC | MeSH | Dolichylglucose phosphate | MeSH | Glucosylphosphoryldolicholbeta-D-glucopyranose, 1-ester with dolichol dihydrogen phosphate | MeSH | Dolichol monophosphate glucose | MeSH | Dolichol-D-glucosylmonophosphate | MeSH | Dolichyl monophosphate glucose | MeSH | Glucosylphosphodolichol | MeSH |
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Chemical Formula | C6H13O9P |
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Average Molecular Mass | 260.136 g/mol |
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Monoisotopic Mass | 260.030 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | {[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid |
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Traditional Name | β-D-glucose 1-phosphate |
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SMILES | [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OP(O)(O)=O)[C@]1([H])O |
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InChI Identifier | InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 |
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InChI Key | HXXFSFRBOHSIMQ-DVKNGEFBSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. |
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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 | Monosaccharide phosphates |
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Alternative Parents | |
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Substituents | - Hexose monosaccharide
- Monosaccharide phosphate
- Monoalkyl phosphate
- Organic phosphoric acid derivative
- Oxane
- Alkyl phosphate
- Phosphoric acid ester
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Alcohol
- Hydrocarbon derivative
- Primary alcohol
- Organic oxide
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive | Not Available | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-9240000000-d6ee97f6c2cc4c529090 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9240000000-06ae450e49c3ed95f599 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9100000000-983003b6233add18ea51 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a6s-9380000000-95d403c269465c6fe3ad | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9110000000-23bfc860bd8a296d442c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-dfc211275bafe42581ae | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | 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 | Not Available |
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HMDB ID | Not Available |
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FooDB ID | FDB031290 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | C00019553 |
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BiGG ID | Not Available |
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BioCyc ID | CPD-448 |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Glucose-1-phosphate |
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Chemspider ID | Not Available |
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ChEBI ID | 16218 |
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PubChem Compound ID | 122250 |
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Kegg Compound ID | C00663 |
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YMDB ID | Not Available |
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ECMDB ID | ECMDB20124 |
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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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