| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:21:49 UTC |
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| Update Date | 2020-04-22 15:17:22 UTC |
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| BMDB ID | BMDB0006355 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | D-Glucurono-6,3-lactone |
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| Description | D-Glucurono-6,3-lactone belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. Based on a literature review very few articles have been published on D-Glucurono-6,3-lactone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| D-Glucurone | HMDB | | D-Glucuronic acid | HMDB | | D-Glucuronic acid lactone | HMDB | | D-glucurono-3,6-Lactone | HMDB | | D-Glucuronolactone | HMDB | | Dicurone | HMDB | | glucofuranurono-6,3-Lactone | HMDB | | Glucoxy | HMDB | | Glucurolactone | HMDB | | Glucuron | HMDB | | Glucurone | HMDB | | Glucuronic acid lactone | HMDB | | Glucuronolactone | HMDB | | Glucuronosan | HMDB | | Gluronsan | HMDB | | Glycurone | HMDB | | Guronsan | HMDB | | Reulatt s.s. | HMDB |
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| Chemical Formula | C6H8O6 |
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| Average Molecular Weight | 176.1241 |
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| Monoisotopic Molecular Weight | 176.032087988 |
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| IUPAC Name | (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-hexahydrofuro[3,2-b]furan-2-one |
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| Traditional Name | (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-tetrahydro-3H-furo[3,2-b]furan-2-one |
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| CAS Registry Number | 32449-92-6 |
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| SMILES | O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O |
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| InChI Identifier | InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1 |
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| InChI Key | OGLCQHRZUSEXNB-WHDMSYDLSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Furofurans |
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| Sub Class | Isosorbides |
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| Direct Parent | Isosorbides |
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| Alternative Parents | |
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| Substituents | - Isosorbide
- Gamma butyrolactone
- Monosaccharide
- Tetrahydrofuran
- Carboxylic acid ester
- Hemiacetal
- Lactone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Polyol
- Carboxylic acid derivative
- Oxacycle
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cytoplasm
- Endoplasmic reticulum
- Mitochondria
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 177.5 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 257 mg/mL at 21 °C | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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