| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-10-09 22:27:45 UTC |
|---|
| Update date | 2017-01-19 02:36:11 UTC |
|---|
| FoodComEx ID | PC000053 |
|---|
| FoodDB Record | FDB022210 |
|---|
| Chemical Information |
|---|
| Name | Hydroxykynurenine |
|---|
| Description | Hydroxykynurenine is a free radical generator and a bioprecursor quinolinic acid which is a endogenous excitotoxin (PMID 16697652). It is a product of enzyme kynurenine 3-monooxygenase in the tryptophan catabolism pathway (Reactome http://www.reactome.org). [HMDB] |
|---|
| CAS Number | 484-78-6 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 2-amino-4-(2-amino-3-Hydroxyphenyl)-4-oxobutanoate | Generator | | 2-amino-4-(2-amino-3-Hydroxyphenyl)-4-oxobutanoic acid | ChEBI | | 3-(3-hydroxyanthraniloyl)-Alanine | hmdb | | 3-(3-Hydroxyanthraniloyl)alanine | ChEBI | | 3-Hydroxy-DL-kynurenine | hmdb | | 3-hydroxy-Kynurenine | hmdb | | 3-Hydroxykynurenine | hmdb | | DL-3-Hydroxykynurenine | hmdb | | Hydroxykinurenine | hmdb | | Hydroxykynurenine | hmdb | | OH-Kynurenine | HMDB |
|
|---|
| Chemical Formula | C10H12N2O4 |
|---|
| IUPAC name | 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid |
|---|
| InChI Identifier | InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) |
|---|
| InChI Key | VCKPUUFAIGNJHC-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O |
|---|
| Average Molecular Weight | 224.2133 |
|---|
| Monoisotopic Molecular Weight | 224.079706882 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic oxygen compounds |
|---|
| Class | Organooxygen compounds |
|---|
| Sub Class | Carbonyl compounds |
|---|
| Direct Parent | Alkyl-phenylketones |
|---|
| Alternative Parents | |
|---|
| Substituents | - Alkyl-phenylketone
- Butyrophenone
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Gamma-keto acid
- O-aminophenol
- Aryl alkyl ketone
- Aniline or substituted anilines
- Benzoyl
- Aminophenol
- Phenol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Keto acid
- Beta-aminoketone
- Monocyclic benzene moiety
- Benzenoid
- Vinylogous amide
- Amino acid or derivatives
- Amino acid
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organonitrogen compound
- Primary amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxide
- Organic nitrogen compound
- Amine
- Primary aliphatic amine
- Aromatic homomonocyclic compound
|
|---|
| Molecular Framework | Aromatic homomonocyclic compounds |
|---|
| External Descriptors | |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
|
| Foods of Origin |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | Production upon request, up to 20 mg |
|---|
| Delivery Time | Not Available |
|---|
| Storage Form | solid |
|---|
| Storage Conditions | -80°C |
|---|
| Stability | Not Available |
|---|
| Purity | Not Available |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
|
| Commercial Vendors |
|---|
| AKSci | 0925AB |
|---|
