| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:04:26 UTC |
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| Update Date | 2020-05-11 20:25:01 UTC |
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| BMDB ID | BMDB0010328 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Tyramine glucuronide |
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| Description | Tyramine 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. Tyramine glucuronide is a very strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 4-(2-Aminoethyl)phenyl-beta-D-glucopyranosiduronic acid | HMDB | | 4-(2-Aminoethyl)phenyl-beta-delta-glucopyranosiduronic acid | HMDB | | (2S,3S,4S,5R,6S)-6-[4-(2-Aminoethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate | HMDB | | Tyramine glucuronide | MeSH |
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| Chemical Formula | C14H19NO7 |
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| Average Molecular Weight | 313.3032 |
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| Monoisotopic Molecular Weight | 313.116151967 |
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| IUPAC Name | (2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Traditional Name | tyramine glucuronide |
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| CAS Registry Number | 27972-85-6 |
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| SMILES | NCCC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 |
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| InChI Identifier | InChI=1S/C14H19NO7/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14,16-18H,5-6,15H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 |
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| InChI Key | AQKVISOBVPVACA-BYNIDDHOSA-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
- O-glucuronide
- 1-o-glucuronide
- Glucuronic acid or derivatives
- Hexose monosaccharide
- O-glycosyl compound
- Phenethylamine
- Phenoxy compound
- 2-arylethylamine
- Phenol ether
- Beta-hydroxy acid
- Aralkylamine
- Monocyclic benzene moiety
- Oxane
- Hydroxy acid
- Pyran
- Monosaccharide
- Benzenoid
- Amino acid or derivatives
- Amino acid
- Secondary alcohol
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Polyol
- Hydrocarbon derivative
- Amine
- Alcohol
- Carbonyl group
- Organic nitrogen compound
- Primary aliphatic amine
- Organopnictogen compound
- Primary amine
- Organic oxide
- Organonitrogen compound
- 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 | Not Available |
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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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