| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:37:22 UTC |
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| Update Date | 2016-11-09 01:15:53 UTC |
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| Accession Number | CHEM018879 |
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| Identification |
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| Common Name | Glucuronamide |
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| Class | Small Molecule |
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| Description | A monosaccharide derivative that is the carboxamide of beta-D-glucuronic acid |
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| Contaminant Sources | - ToxCast & Tox21 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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| (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxamide | ChEBI | | D-Glucuronic acid amide | ChEBI | | D-Glucuronic amide | ChEBI | | Glucuriamide | ChEBI | | Glucuronamide | ChEBI | | Guronamin | ChEBI | | beta-D-Glucopyranuronamide | Kegg | | D-Glucuronate amide | Generator | | b-D-Glucopyranuronamide | Generator | | Β-D-glucopyranuronamide | Generator | | b-D-Glucuronamide | Generator | | Β-D-glucuronamide | Generator | | Glucuronic acid amide | MeSH | | Glucuronamide, (D)-isomer | MeSH |
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| Chemical Formula | C6H11NO6 |
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| Average Molecular Mass | 193.155 g/mol |
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| Monoisotopic Mass | 193.059 g/mol |
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| CAS Registry Number | 61914-43-0 |
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| IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboximidic acid |
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| Traditional Name | glucuronamide |
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| SMILES | [H][C@@]1(O)O[C@]([H])(C(O)=N)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O |
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| InChI Identifier | InChI=1S/C6H11NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-4,6,8-10,12H,(H2,7,11)/t1-,2-,3+,4-,6+/m0/s1 |
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| InChI Key | VOIFKEWOFUNPBN-QIUUJYRFSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyrans. Pyrans are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyrans |
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| Sub Class | Not Available |
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| Direct Parent | Pyrans |
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| Alternative Parents | |
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| Substituents | - Monosaccharide
- Oxane
- Pyran
- Carboxamide group
- Hemiacetal
- Primary carboxylic acid amide
- Secondary alcohol
- Carboxylic acid derivative
- Polyol
- Oxacycle
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- 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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004l-0900000000-3cd81b7bbc5d9aefd700 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056r-1900000000-95b6953c305ef3a73f2b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052r-9200000000-b315a830713ae92b6f3a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-3900000000-bbb018f4fdfd99677a8d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0bt9-9400000000-07e53e71975f29b31584 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-06r6-9000000000-cf37074327bb602f7fe6 | 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 | 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 | CPD0-1656 |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 32323 |
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| PubChem Compound ID | 636367 |
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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 | |
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