| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:31:37 UTC |
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| Update Date | 2020-05-11 20:21:00 UTC |
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| BMDB ID | BMDB0000496 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3-Methoxy-4-hydroxyphenylglycol glucuronide |
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| Description | 3-Methoxy-4-hydroxyphenylglycol glucuronide, also known as MHPG glucuronide, belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 3-Methoxy-4-hydroxyphenylglycol glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| MHPG Glucuronide | HMDB | | (2S,3S,4S,5R,6S)-6-[4-(1,2-Dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate | HMDB | | 3-Methoxy-4-hydroxyphenylglycol glucuronide | MeSH |
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| Chemical Formula | C15H20O10 |
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| Average Molecular Weight | 360.3133 |
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| Monoisotopic Molecular Weight | 360.10564686 |
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| IUPAC Name | (2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Traditional Name | mhpg glucuronide |
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| CAS Registry Number | 52002-41-2 |
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| SMILES | COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)CO |
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| InChI Identifier | InChI=1S/C15H20O10/c1-23-9-4-6(7(17)5-16)2-3-8(9)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,7,10-13,15-20H,5H2,1H3,(H,21,22)/t7?,10-,11-,12+,13-,15+/m0/s1 |
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| InChI Key | VMWCOZPKGQMCRO-UICVJNQZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
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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 | Phenolic glycosides |
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| Alternative Parents | |
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| Substituents | - Phenolic glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- Hexose monosaccharide
- O-glycosyl compound
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Alkyl aryl ether
- Beta-hydroxy acid
- Monosaccharide
- Hydroxy acid
- Pyran
- Oxane
- Benzenoid
- Monocyclic benzene moiety
- Secondary alcohol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Polyol
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Alcohol
- Aromatic alcohol
- Primary alcohol
- Organic oxide
- Carbonyl group
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 | |
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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 | 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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| Spectra |
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| Spectra | |
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