| Version |
2.5 |
| Creation Date |
2009-07-25 01:07:57 |
| Update Date |
2009-07-27 12:32:24 |
| Accession Number |
HMDB12819 |
| Secondary Accession Numbers |
Not Available |
| Common Name |
5-Hydroxykynurenine |
| Description |
5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28]. |
| Synonyms |
- 5-Hydroxy-L-kynurenine
|
| Chemical IUPAC Name |
N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| Chemical Formula |
C10H12N2O4 |
| Chemical Structure |
 |
| Chemical Taxonomy |
| Kingdom |
|
| Super Class |
| — |
| Class |
| — |
| Sub Class |
| — |
| Family |
|
| Species |
- ketone
- phenol or hydroxyhetarene
- primary amine
- primary aliphatic amine (alkylamine)
- primary aromatic amine
- carboxylic acid
- aromatic compound
- alpha-aminoacid
|
| Biofunction |
| — |
| Application |
| — |
| Source |
|
|
| Average Molecular Weight |
224.213 |
| Monoisotopic Molecular Weight |
224.079712 |
| Isomeric SMILES |
NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O |
| Canonical SMILES |
NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O |
| KEGG Compound ID |
C05651  |
| BioCyc ID |
Not Available |
| BiGG ID |
Not Available |
| Wikipedia Link |
Not Available |
| NuGOwiki Link |
HMDB12819 |
| Metagene Link |
HMDB12819 |
| METLIN ID |
Not Available |
| PubChem Compound |
1864 |
| PubChem Substance |
10442056 |
| ChEBI ID |
2076 |
| CAS Registry Number |
2208-41-5 |
| InChI Identifier |
InChI=1/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16) |
| Synthesis Reference |
Not Available |
| Melting Point (Experimental) |
Not Available |
| Experimental Water Solubility |
Not Available
Source: PhysProp
|
| Predicted Water Solubility |
3.12 mg/mL [Predicted by ALOGPS]
Calculated using ALOGPS
|
| Physiological Charge |
0 |
| State |
Solid |
| Experimental LogP/Hydrophobicity |
Not Available
Source: PhysProp
|
| Predicted LogP/Hydrophobicity |
-2.17 [Predicted by ALOGPS]
Calculated using ALOGPS
|
| Material Safety Data Sheet (MSDS) |
Not Available |
| MOL File |
Show |
| SDF File |
Show |
| PDB File |
Show |
| 2D Structure |
|
| 3D Structure |
|
| Experimental PDB ID |
Not Available |
| Experimental 1H NMR Spectrum |
Not Available |
| Experimental 13C NMR Spectrum |
Not Available |
| Experimental 13C HSQC Spectrum |
Not Available |
| Predicted 1H NMR Spectrum |
Not Available
Not Available
|
| Predicted 13C NMR Spectrum |
Not Available
Not Available
|
| Mass Spectrum |
Not Available |
| Simplified TOCSY Spectrum |
Not Available |
| BMRB Spectrum |
Not Available |
| Cellular Location |
Not Available |
| Biofluid Location |
Not Available |
| Tissue Location |
Not Available |
| Concentrations (Normal) |
Not Available |
| Concentrations (Abnormal) |
Not Available |
| Associated Disorders |
Not Available |
| OMIM ID |
Not Available |
| Pathways |
|
| General References |
Not Available |
| Metabolic Enzymes |
- Probable arylformamidase
|
|
Enzyme 1
[top]
|
| Enzyme 1 ID |
13059 |
| Enzyme 1 Name |
Probable arylformamidase |
| Enzyme 1 Synonyms |
- Kynurenine formamidase
- KF
|
| Enzyme 1 Gene Name |
AFMID |
| Enzyme 1 Protein Sequence |
>Probable arylformamidase
MMDVSGVGFPSKVPWKKMSAEELENQYCPSRWVVRLGAEEALRTYSQIGIEATTRARATR
KSLLHVPYGDGEGEKVDIYFPDESSEALPFFLFFHGGYWQSGSKDESAFMVHPLTAQGVA
VVIVAYGIAPKGTLDHMVDQVTRSVAFVQKRYPSNKGIYLCGHSAGAHLAAMMLLADWTK
HGVTPNLRGFFLVSGVFDLEPIVYTSQNVALQLTLEDAQRNNPQLKVAQAQPVDPTCRVL
VVVGQFDSPEFHRQSWEFYQVLPVQTLCQGEWKASFEELHDVDHFEIVENLTQKDNVLTQ
IILKTIFQ
|
| Enzyme 1 Number of Residues |
308 |
| Enzyme 1 Molecular Weight |
34556 |
| Enzyme 1 Theoretical pI |
5.78 |
| Enzyme 1 GO Classification |
Not Available |
| Enzyme 1 General Function |
Lipid transport and metabolism |
| Enzyme 1 Specific Function |
Catalyzes the hydrolysis of N-formyl-L-kynurenine to L- kynurenine, the second step in the conversion of tryptophan to nicotinic acid, NAD(H) and NADP(H). Required for elimination of toxic metabolites |
| Enzyme 1 Pathways |
- Glyoxylate and Dicarboxylate Metabolism (map00630 )
- Tryptophan Metabolism (map00380 )
|
| Enzyme 1 Reactions |
- N-formyl-L-kynurenine + H2O = formate + L-kynurenine [RN:R01959] ALL_REAC R01959
- (other) R00988 R04911
|
| Enzyme 1 Pfam Domain Function |
Not Available |
| Enzyme 1 Signals |
|
| Enzyme 1 Transmembrane Regions |
|
| Enzyme 1 Essentiality |
Not Available |
| Enzyme 1 GenBank ID Protein |
52545961 |
| Enzyme 1 UniProtKB/Swiss-Prot ID |
Q63HM1 |
| Enzyme 1 UniProtKB/Swiss-Prot Entry Name |
AFMID_HUMAN |
| Enzyme 1 PDB ID |
Not Available |
| Enzyme 1 Cellular Location |
Not Available |
| Enzyme 1 Gene Sequence |
Not Available |
| Enzyme 1 GenBank Gene ID |
BX648442 |
| Enzyme 1 GeneCard ID |
Q63HM1 |
| Enzyme 1 GenAtlas ID |
AFMID |
| Enzyme 1 HGNC ID |
HGNC:20910 |
| Enzyme 1 Chromosome Location |
Not Available |
| Enzyme 1 Locus |
Not Available |
| Enzyme 1 SNPs |
SNPJam Report |
| Enzyme 1 General References |
Not Available |
| Enzyme 1 Metabolite References |
Not Available |
