1.0
2011-09-21 00:10:09 UTC
2015-10-09 22:27:45 UTC
FDB022210
Hydroxykynurenine
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]
2-amino-4-(2-amino-3-Hydroxyphenyl)-4-oxobutanoate
2-amino-4-(2-amino-3-Hydroxyphenyl)-4-oxobutanoic acid
3-(3-hydroxyanthraniloyl)-Alanine
3-(3-Hydroxyanthraniloyl)alanine
3-Hydroxy-DL-kynurenine
3-hydroxy-Kynurenine
3-Hydroxykynurenine
DL-3-Hydroxykynurenine
Hydroxykinurenine
Hydroxykynurenine
OH-Kynurenine
C10H12N2O4
224.2133
224.079706882
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
hydroxykynurenine
484-78-6
NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O
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)
VCKPUUFAIGNJHC-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
1-hydroxy-4-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
o-Aminophenols
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-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
O-aminophenol
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Organopnictogen compound
Phenol
Primary aliphatic amine
Primary amine
Vinylogous amide
hydroxykynurenine
Solid
logp
-2.09
logs
-1.83
solubility
3.33e+00 g/l
logp
-2.2
pka_strongest_acidic
0.99
pka_strongest_basic
8.9
iupac
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
average_mass
224.2133
mono_mass
224.079706882
smiles
NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O
formula
C10H12N2O4
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)
inchikey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
polar_surface_area
126.64
refractivity
57.03
polarizability
21.79
rotatable_bond_count
4
acceptor_count
6
donor_count
4
physiological_charge
0
formal_charge
0
Specdb::NmrTwoD
1452
Specdb::CMs
629
Specdb::CMs
26183
Specdb::CMs
30442
Specdb::CMs
37729
Specdb::CMs
159192
Specdb::CMs
1072961
Specdb::CMs
1072962
Specdb::CMs
1072964
Specdb::CMs
1072966
Specdb::CMs
1072968
Specdb::CMs
1072970
Specdb::CMs
1072972
Specdb::CMs
1072973
Specdb::CMs
1072975
Specdb::CMs
1072977
Specdb::CMs
1072979
Specdb::CMs
1072980
Specdb::CMs
1072982
Specdb::CMs
1072984
Specdb::CMs
1072986
Specdb::CMs
1072988
Specdb::CMs
1072990
Specdb::CMs
1072992
Specdb::CMs
1072994
Specdb::CMs
1072996
Specdb::MsMs
4589
Specdb::MsMs
439048
Specdb::MsMs
440126
Specdb::MsMs
2229571
Specdb::MsMs
2229891
Specdb::MsMs
2231945
Specdb::MsMs
2232275
Specdb::MsMs
2253100
Specdb::MsMs
2253354
Specdb::MsMs
2255137
Specdb::MsMs
2255452
Specdb::MsMs
1032
Specdb::MsMs
1033
Specdb::MsMs
1034
Specdb::MsMs
4575
Specdb::MsMs
4576
Specdb::MsMs
4577
Specdb::MsMs
4578
Specdb::MsMs
4579
Specdb::MsMs
4580
Specdb::MsMs
4581
Specdb::MsMs
4582
Specdb::MsMs
4583
Specdb::MsMs
4584
Specdb::MsMs
4585
Specdb::NmrOneD
1506
Specdb::NmrOneD
145150
Specdb::NmrOneD
145151
Specdb::NmrOneD
145152
Specdb::NmrOneD
145153
Specdb::NmrOneD
145154
Specdb::NmrOneD
145155
Specdb::NmrOneD
145156
Specdb::NmrOneD
145157
Specdb::NmrOneD
145158
Specdb::NmrOneD
145159
Specdb::NmrOneD
145160
Specdb::NmrOneD
145161
Specdb::NmrOneD
145162
Specdb::NmrOneD
145163
Specdb::NmrOneD
145164
Specdb::NmrOneD
145165
Specdb::NmrOneD
145166
Specdb::NmrOneD
145167
Specdb::NmrOneD
145168
Specdb::NmrOneD
145169
Specdb::NmrOneD
166383
Specdb::NmrOneD
166637
HMDB00732
1547
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#<Reference:0x00005556756808c8>
#<Reference:0x00005556756805d0>
#<Reference:0x0000555675680288>
#<Reference:0x000055567567ff40>
#<Reference:0x000055567567fcc0>
#<Reference:0x000055567567f9c8>
#<Reference:0x000055567567f6d0>
#<Reference:0x000055567567f3b0>
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