| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-10-03 18:04:36 UTC |
|---|
| Update Date | 2020-05-11 20:25:08 UTC |
|---|
| BMDB ID | BMDB0010336 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Epinephrine glucuronide |
|---|
| Description | Epinephrine 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. Epinephrine glucuronide is a very strong basic compound (based on its pKa). |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 2-Hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl beta-D-glucopyranosiduronic acid | HMDB | | 2-Hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl beta-delta-glucopyranosiduronic acid | HMDB | | L-Epinephrine glucuronide | HMDB | | L-Epinephrine monoglucuronide | HMDB | | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylate | HMDB |
|
|---|
| Chemical Formula | C15H21NO9 |
|---|
| Average Molecular Weight | 359.3285 |
|---|
| Monoisotopic Molecular Weight | 359.121631275 |
|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid |
|---|
| Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid |
|---|
| CAS Registry Number | 54964-61-3 |
|---|
| SMILES | CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1 |
|---|
| InChI Identifier | InChI=1S/C15H21NO9/c1-16-5-8(18)6-2-3-9(7(17)4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h2-4,8,10-13,15-21H,5H2,1H3,(H,22,23)/t8-,10-,11-,12+,13-,15+/m0/s1 |
|---|
| InChI Key | BLTFFSZSAZRUSC-FYRJOLOESA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic oxygen compounds |
|---|
| Class | Organooxygen compounds |
|---|
| Sub Class | Carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | Phenolic glycosides |
|---|
| Alternative Parents | |
|---|
| Substituents | - Phenolic glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- O-glycosyl compound
- Phenoxy compound
- Phenol ether
- Beta-hydroxy acid
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Phenol
- Monocyclic benzene moiety
- Hydroxy acid
- Monosaccharide
- Oxane
- Pyran
- Benzenoid
- Secondary alcohol
- Amino acid or derivatives
- 1,2-aminoalcohol
- Amino acid
- Secondary amine
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Carboxylic acid derivative
- Carboxylic acid
- Secondary aliphatic amine
- Acetal
- Monocarboxylic acid or derivatives
- Aromatic alcohol
- Amine
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Alcohol
- Organic oxide
- Organonitrogen compound
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
|
|---|
| Molecular Framework | Aromatic heteromonocyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
