1.0
2011-09-21 01:51:20 UTC
2017-03-11 23:00:50 UTC
FDB029180
5-Hydroxykynurenine
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]. [HMDB]
5-Hydroxy-L-kynurenine
C10H12N2O4
224.2133
224.079706882
2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid
5-hydroxykynurenine
720-00-3
NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O
InChI=1S/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)
OTDQYOVYQQZAJL-UHFFFAOYSA-N
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.
Alkyl-phenylketones
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
Alpha amino acids
Amino acids
Aniline and substituted anilines
Aryl alkyl ketones
Benzoyl derivatives
Beta-amino ketones
Butyrophenones
Carboxylic acids
Gamma-keto acids and derivatives
Hydrocarbon derivatives
Monoalkylamines
Monocarboxylic acids and derivatives
Organic oxides
Organopnictogen compounds
Vinylogous amides
p-Aminophenols
1-hydroxy-2-unsubstituted benzenoid
Alkyl-phenylketone
Alpha-amino acid
Alpha-amino acid or derivatives
Amine
Amino acid
Amino acid or derivatives
Aminophenol
Aniline or substituted anilines
Aromatic homomonocyclic compound
Aryl alkyl ketone
Benzenoid
Benzoyl
Beta-aminoketone
Butyrophenone
Carboxylic acid
Carboxylic acid derivative
Gamma-keto acid
Hydrocarbon derivative
Keto acid
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Organopnictogen compound
P-aminophenol
Phenol
Primary aliphatic amine
Primary amine
Vinylogous amide
hydroxykynurenine
Solid
logp
-2.17
logs
-1.86
solubility
3.12e+00 g/l
logp
-2.2
pka_strongest_acidic
0.98
pka_strongest_basic
8.91
iupac
2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid
average_mass
224.2133
mono_mass
224.079706882
smiles
NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O
formula
C10H12N2O4
inchi
InChI=1S/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)
inchikey
OTDQYOVYQQZAJL-UHFFFAOYSA-N
polar_surface_area
126.64
refractivity
57.03
polarizability
21.53
rotatable_bond_count
4
acceptor_count
6
donor_count
4
physiological_charge
0
formal_charge
0
Tryptophan Metabolism
SMP00063
map00380
Specdb::CMs
23292
Specdb::CMs
39997
Specdb::CMs
154442
Specdb::MsMs
317668
Specdb::MsMs
317669
Specdb::MsMs
317670
Specdb::MsMs
364192
Specdb::MsMs
364193
Specdb::MsMs
364194
Specdb::MsMs
3046765
Specdb::MsMs
3046766
Specdb::MsMs
3046767
Specdb::MsMs
3096328
Specdb::MsMs
3096329
Specdb::MsMs
3096330
Specdb::NmrOneD
97838
Specdb::NmrOneD
97839
Specdb::NmrOneD
97840
Specdb::NmrOneD
97841
Specdb::NmrOneD
97842
Specdb::NmrOneD
97843
Specdb::NmrOneD
97844
Specdb::NmrOneD
97845
Specdb::NmrOneD
97846
Specdb::NmrOneD
97847
Specdb::NmrOneD
97848
Specdb::NmrOneD
97849
Specdb::NmrOneD
97850
Specdb::NmrOneD
97851
Specdb::NmrOneD
97852
Specdb::NmrOneD
97853
Specdb::NmrOneD
97854
Specdb::NmrOneD
97855
Specdb::NmrOneD
97856
Specdb::NmrOneD
97857
HMDB12819
2076
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
Aromatic-L-amino-acid decarboxylase
P20711
DDC