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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110634 |
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Identification |
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| Name: |
3-hydroxy-L-kynurenine |
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| Description: | Zwitterionic form of 3-hydroxy-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3 |
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Structure |
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| Synonyms: | -
L-3-hydroxykynurenine
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3-hydroxy-kynurenine
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Chemical Formula: |
C10H12N2O4
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| Average Molecular Weight: |
224.22 |
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| Monoisotopic Molecular
Weight: |
225.0875319161 |
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| InChI Key: |
VCKPUUFAIGNJHC-LURJTMIESA-N |
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| InChI: |
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)/t6-/m0/s1 |
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| CAS
number: |
606-14-4 |
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| IUPAC Name: | (2S)-4-(2-amino-3-hydroxyphenyl)-2-azaniumyl-4-oxobutanoate |
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Traditional IUPAC Name: |
3-hydroxy-L-kynurenine |
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| SMILES: | C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic oxygen compounds |
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| Sub Class | Organooxygen compounds |
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Direct Parent |
Alkyl-phenylketones |
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| Alternative Parents |
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| Substituents |
- Alkyl-phenylketone
- Butyrophenone
- Alpha-amino acid
- Alpha-amino acid or derivatives
- L-alpha-amino acid
- O-aminophenol
- Aminophenol
- Benzoyl
- Aniline or substituted anilines
- Gamma-keto acid
- Aryl alkyl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Beta-aminoketone
- Keto acid
- Benzenoid
- Primary aromatic amine
- Vinylogous amide
- Amino acid
- Amino acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Primary aliphatic amine
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organic nitrogen compound
- Organonitrogen compound
- Primary amine
- Organic oxide
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | 0 |
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Melting point: |
Not Available |
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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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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Sardar AM, Bell JE, Reynolds GP: Increased concentrations of the neurotoxin 3-hydroxykynurenine in the frontal cortex of HIV-1-positive patients. J Neurochem. 1995 Feb;64(2):932-5. [7830088 ]
- Guidetti P, Schwarcz R: 3-Hydroxykynurenine potentiates quinolinate but not NMDA toxicity in the rat striatum. Eur J Neurosci. 1999 Nov;11(11):3857-63. [10583474 ]
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Download (PDF) |
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Links |
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| External Links: |
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